N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 63059986

IUPACN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(c2ccc(CNCC(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyNCGXGYNTCHLMPM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.57
Rot. Bonds6

About N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63059986) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63059986
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(c2ccc(CNCC(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyNCGXGYNTCHLMPM-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
CID 63059689
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
N-[[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457020
2-[[[4-(4-ethylpiperazin-1-yl)phenyl]methylamino]methyl]aniline
CID 83962235
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 155740059
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983
3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63059986) is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCN1CCN(c2ccc(CNCC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NCGXGYNTCHLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63059986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).