2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine

C16H34N2 — CID 65281633

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-8-16(4,13-17-5)14-18-11-7-9-15(2,3)10-12-18/h17H,6-14H2,1-5H3
InChIKeyIFDPFCPZFXDTLM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine

2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 65281633) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID65281633
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-8-16(4,13-17-5)14-18-11-7-9-15(2,3)10-12-18/h17H,6-14H2,1-5H3
InChIKeyIFDPFCPZFXDTLM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
CID 65282350
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 63495294
1-[2-(bromomethyl)-2-propylpentyl]-4,4-dimethylazepane
CID 65283083
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
1-[2-methyl-2-(methylaminomethyl)pentyl]piperidin-3-ol
CID 62260870
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
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65282057
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63159648
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine (CID 65281633) is 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)CN1CCCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is IFDPFCPZFXDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-16(4,13-17-5)14-18-11-7-9-15(2,3)10-12-18/h17H,6-14H2,1-5H3.
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 65281633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).