3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine

C18H29N3 — CID 130751645

IUPAC3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine
SMILESCC1CN(Cc2ccccc2)CCN(C2CCC(N)C2)C1
InChIInChI=1S/C18H29N3/c1-15-12-20(14-16-5-3-2-4-6-16)9-10-21(13-15)18-8-7-17(19)11-18/h2-6,15,17-18H,7-14,19H2,1H3
InChIKeyZDWKBTQGLYCHOI-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine

3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine (PubChem CID 130751645) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine
PubChem CID130751645
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine
SMILESCC1CN(Cc2ccccc2)CCN(C2CCC(N)C2)C1
InChIInChI=1S/C18H29N3/c1-15-12-20(14-16-5-3-2-4-6-16)9-10-21(13-15)18-8-7-17(19)11-18/h2-6,15,17-18H,7-14,19H2,1H3
InChIKeyZDWKBTQGLYCHOI-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine?
The IUPAC name of 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine (CID 130751645) is 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine is CC1CN(Cc2ccccc2)CCN(C2CCC(N)C2)C1.
What is the InChIKey of 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine?
The InChIKey is ZDWKBTQGLYCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-12-20(14-16-5-3-2-4-6-16)9-10-21(13-15)18-8-7-17(19)11-18/h2-6,15,17-18H,7-14,19H2,1H3.
What are the key properties of 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine?
3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 130751645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).