N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine

C14H30N2 — CID 83143388

IUPACN-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCC1CCCCCN1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-16-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyGJYQMPWCGXNQPS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds4

About N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine

N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 83143388) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID83143388
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCC1CCCCCN1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-16-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyGJYQMPWCGXNQPS-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106639319
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
CID 107151421
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106634399
2-cyclobutyl-2-methyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 115209472
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine (CID 83143388) is N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine is CC(CNCC1CCCCCN1)C(C)(C)C.
What is the InChIKey of N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is GJYQMPWCGXNQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-16-13/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83143388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).