N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine

C15H32N2 — CID 79559883

IUPACN-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
SMILESCCC(NC(C)CC1CCCCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-15(12(2)3)17-13(4)11-14-9-7-6-8-10-16-14/h12-17H,5-11H2,1-4H3
InChIKeyMEVANHWKROMFSR-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine

N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine (PubChem CID 79559883) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
PubChem CID79559883
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
SMILESCCC(NC(C)CC1CCCCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-15(12(2)3)17-13(4)11-14-9-7-6-8-10-16-14/h12-17H,5-11H2,1-4H3
InChIKeyMEVANHWKROMFSR-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79560887
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
methyl 2-[1-(azepan-2-yl)propan-2-ylamino]-3-methylpentanoate
CID 79560878
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine (CID 79559883) is N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine is CCC(NC(C)CC1CCCCCN1)C(C)C.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine?
The InChIKey is MEVANHWKROMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-15(12(2)3)17-13(4)11-14-9-7-6-8-10-16-14/h12-17H,5-11H2,1-4H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine?
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.32, 6 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-methylpentan-3-amine is sourced from PubChem (CID 79559883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).