4-(4-methylazepan-1-yl)-N-propylpentan-1-amine

C15H32N2 — CID 55248637

IUPAC4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)N1CCCC(C)CC1
InChIInChI=1S/C15H32N2/c1-4-10-16-11-5-8-15(3)17-12-6-7-14(2)9-13-17/h14-16H,4-13H2,1-3H3
InChIKeyBCLMPFBPXATJAC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine

4-(4-methylazepan-1-yl)-N-propylpentan-1-amine (PubChem CID 55248637) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
PubChem CID55248637
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)N1CCCC(C)CC1
InChIInChI=1S/C15H32N2/c1-4-10-16-11-5-8-15(3)17-12-6-7-14(2)9-13-17/h14-16H,4-13H2,1-3H3
InChIKeyBCLMPFBPXATJAC-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-methyl-3-(4-methylpiperidin-1-yl)butan-1-amine
CID 62438267
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
CID 114597107
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylbutan-1-amine
CID 81206322
N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 81019015
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine (CID 55248637) is 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine is CCCNCCCC(C)N1CCCC(C)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine?
The InChIKey is BCLMPFBPXATJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-10-16-11-5-8-15(3)17-12-6-7-14(2)9-13-17/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine?
4-(4-methylazepan-1-yl)-N-propylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 55248637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).