2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen

C19H43N3 — CID 142067701

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen
SMILESC.C.CC.CC1=CC=CC1CNCCC1CN(C)CCN1C.[H][H]
InChIInChI=1S/C15H27N3.C2H6.2CH4.H2/c1-13-5-4-6-14(13)11-16-8-7-15-12-17(2)9-10-18(15)3;1-2;;;/h4-6,14-16H,7-12H2,1-3H3;1-2H3;2*1H4;1H
InChIKeyDICPGKCJWSALDZ-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.89
Rot. Bonds5

About 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen

2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen (PubChem CID 142067701) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen
PubChem CID142067701
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen
SMILESC.C.CC.CC1=CC=CC1CNCCC1CN(C)CCN1C.[H][H]
InChIInChI=1S/C15H27N3.C2H6.2CH4.H2/c1-13-5-4-6-14(13)11-16-8-7-15-12-17(2)9-10-18(15)3;1-2;;;/h4-6,14-16H,7-12H2,1-3H3;1-2H3;2*1H4;1H
InChIKeyDICPGKCJWSALDZ-UHFFFAOYSA-N
XLogP3.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64541877
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-(2-chloroethyl)-1,4-dimethylpiperazine
CID 178030673
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 63896874
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen (CID 142067701) is 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen is C.C.CC.CC1=CC=CC1CNCCC1CN(C)CCN1C.[H][H].
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen?
The InChIKey is DICPGKCJWSALDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.C2H6.2CH4.H2/c1-13-5-4-6-14(13)11-16-8-7-15-12-17(2)9-10-18(15)3;1-2;;;/h4-6,14-16H,7-12H2,1-3H3;1-2H3;2*1H4;1H.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen?
2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen has a molecular weight of 313.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-[(2-methylcyclopenta-2,4-dien-1-yl)methyl]ethanamine;ethane;methane;molecular hydrogen is sourced from PubChem (CID 142067701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).