N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine

C13H28N2 — CID 79553512

IUPACN-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)CC1CCCCCN1
InChIInChI=1S/C13H28N2/c1-11(2)10-15-12(3)9-13-7-5-4-6-8-14-13/h11-15H,4-10H2,1-3H3
InChIKeyDSIVHKKJLLHWBK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine

N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine (PubChem CID 79553512) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
PubChem CID79553512
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)CC1CCCCCN1
InChIInChI=1S/C13H28N2/c1-11(2)10-15-12(3)9-13-7-5-4-6-8-14-13/h11-15H,4-10H2,1-3H3
InChIKeyDSIVHKKJLLHWBK-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
CID 79560235
N-(2,2-dicyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541769
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol
CID 79560656
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine (CID 79553512) is N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine is CC(C)CNC(C)CC1CCCCCN1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine?
The InChIKey is DSIVHKKJLLHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)10-15-12(3)9-13-7-5-4-6-8-14-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine?
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79553512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).