4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine

C16H27N3 — CID 107876354

IUPAC4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
SMILESCC(C)C(CNN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-14(2)16(15-7-5-4-6-8-15)13-17-19-11-9-18(3)10-12-19/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyYJHPDVURHURHHO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.18
Rot. Bonds5

About 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine

4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine (PubChem CID 107876354) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
PubChem CID107876354
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
SMILESCC(C)C(CNN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-14(2)16(15-7-5-4-6-8-15)13-17-19-11-9-18(3)10-12-19/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyYJHPDVURHURHHO-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-phenylbutyl)-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886133
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
CID 83020816
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
CID 124600300
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine (CID 107876354) is 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine is CC(C)C(CNN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine?
The InChIKey is YJHPDVURHURHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)16(15-7-5-4-6-8-15)13-17-19-11-9-18(3)10-12-19/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine?
4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine is sourced from PubChem (CID 107876354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).