4-(azepan-1-yl)-2,2-dimethylbutan-1-amine

C12H26N2 — CID 65249592

IUPAC4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,11-13)7-10-14-8-5-3-4-6-9-14/h3-11,13H2,1-2H3
InChIKeyMTBILTHWUBSQAJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds4

About 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine

4-(azepan-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65249592) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID65249592
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,11-13)7-10-14-8-5-3-4-6-9-14/h3-11,13H2,1-2H3
InChIKeyMTBILTHWUBSQAJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(1,4-thiazepan-4-yl)butan-1-amine
CID 65247473
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
1-(3,3-dimethylbutyl)azocane
CID 166986973
4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
CID 116991196
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
CID 65247199
2,2-difluoro-4-piperidin-1-ylbutan-1-amine
CID 69130450
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethylbutan-1-amine
CID 107453618
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65246838

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine (CID 65249592) is 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is MTBILTHWUBSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,11-13)7-10-14-8-5-3-4-6-9-14/h3-11,13H2,1-2H3.
What are the key properties of 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine?
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65249592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).