1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine

C12H26N2 — CID 130215546

IUPAC1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine
SMILESCC(C)N1CCCCC(C)(C(C)N)C1
InChIInChI=1S/C12H26N2/c1-10(2)14-8-6-5-7-12(4,9-14)11(3)13/h10-11H,5-9,13H2,1-4H3
InChIKeyKPSRPVQCCUACJE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds2

About 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine

1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine (PubChem CID 130215546) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine
PubChem CID130215546
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine
SMILESCC(C)N1CCCCC(C)(C(C)N)C1
InChIInChI=1S/C12H26N2/c1-10(2)14-8-6-5-7-12(4,9-14)11(3)13/h10-11H,5-9,13H2,1-4H3
InChIKeyKPSRPVQCCUACJE-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
ethane;1-propan-2-ylpyrrolidine
CID 167557798
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
5-propan-2-yl-5-azaspiro[2.5]octan-2-amine
CID 155648637
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
N-methyl-2-propan-2-yl-2,8-diazaspiro[5.6]dodecan-8-amine
CID 167259118
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine?
The IUPAC name of 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine (CID 130215546) is 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine?
The canonical SMILES for 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine is CC(C)N1CCCCC(C)(C(C)N)C1.
What is the InChIKey of 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine?
The InChIKey is KPSRPVQCCUACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14-8-6-5-7-12(4,9-14)11(3)13/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine?
1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine is sourced from PubChem (CID 130215546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).