N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine

C12H27N3 — CID 117003742

IUPACN-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine
SMILESCCCCCN1CCN(C)CC1CNC
InChIInChI=1S/C12H27N3/c1-4-5-6-7-15-9-8-14(3)11-12(15)10-13-2/h12-13H,4-11H2,1-3H3
InChIKeyWMYJWGFAUAILIZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds6

About N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine

N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine (PubChem CID 117003742) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine
PubChem CID117003742
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine
SMILESCCCCCN1CCN(C)CC1CNC
InChIInChI=1S/C12H27N3/c1-4-5-6-7-15-9-8-14(3)11-12(15)10-13-2/h12-13H,4-11H2,1-3H3
InChIKeyWMYJWGFAUAILIZ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62581263
1-heptyl-2-methylaziridine
CID 142378837
4-methyl-1-propylpiperazin-2-amine
CID 70503561
2-ethyl-1-undecylpyrrolidine
CID 171569857
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine (CID 117003742) is N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine is CCCCCN1CCN(C)CC1CNC.
What is the InChIKey of N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine?
The InChIKey is WMYJWGFAUAILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-5-6-7-15-9-8-14(3)11-12(15)10-13-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine?
N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine is sourced from PubChem (CID 117003742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).