2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine

C14H30N2 — CID 62262452

IUPAC2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-9-14(2,12-15-3)13-16-10-7-5-6-8-11-16/h15H,4-13H2,1-3H3
InChIKeyXWYMSABCBBADHB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds6

About 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine

2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine (PubChem CID 62262452) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
PubChem CID62262452
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-9-14(2,12-15-3)13-16-10-7-5-6-8-11-16/h15H,4-13H2,1-3H3
InChIKeyXWYMSABCBBADHB-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 65281633
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 63495294
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
1-[2-methyl-2-(methylaminomethyl)pentyl]piperidin-3-ol
CID 62260870
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63151603
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911
N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
CID 62973356
1-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N,2-dimethylpentan-1-amine
CID 64578275

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine (CID 62262452) is 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine?
The InChIKey is XWYMSABCBBADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-14(2,12-15-3)13-16-10-7-5-6-8-11-16/h15H,4-13H2,1-3H3.
What are the key properties of 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine?
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 62262452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).