N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine

C14H30N2S — CID 113477132

IUPACN-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C14H30N2S/c1-12(8-10-17-3)16-13(2)11-14-7-5-4-6-9-15-14/h12-16H,4-11H2,1-3H3
InChIKeyBYLNOJKZHXJDQU-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.03
Rot. Bonds7

About N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine

N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine (PubChem CID 113477132) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
PubChem CID113477132
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C14H30N2S/c1-12(8-10-17-3)16-13(2)11-14-7-5-4-6-9-15-14/h12-16H,4-11H2,1-3H3
InChIKeyBYLNOJKZHXJDQU-UHFFFAOYSA-N
XLogP3.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
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
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
N-(4-methylsulfanylbutan-2-yl)azocane-2-carboxamide
CID 114240218
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine (CID 113477132) is N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NC(C)CC1CCCCCN1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine?
The InChIKey is BYLNOJKZHXJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-12(8-10-17-3)16-13(2)11-14-7-5-4-6-9-15-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine?
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine has a molecular weight of 258.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 113477132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).