(2R)-1-(4-methylazepan-1-yl)butan-2-amine

C11H24N2 — CID 130522357

IUPAC(2R)-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCC[C@@H](N)CN1CCCC(C)CC1
InChIInChI=1S/C11H24N2/c1-3-11(12)9-13-7-4-5-10(2)6-8-13/h10-11H,3-9,12H2,1-2H3/t10?,11-/m1/s1
InChIKeyWBDLSRXPQFCEQP-RRKGBCIJSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds3

About (2R)-1-(4-methylazepan-1-yl)butan-2-amine

(2R)-1-(4-methylazepan-1-yl)butan-2-amine (PubChem CID 130522357) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2R)-1-(4-methylazepan-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylazepan-1-yl)butan-2-amine
PubChem CID130522357
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2R)-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCC[C@@H](N)CN1CCCC(C)CC1
InChIInChI=1S/C11H24N2/c1-3-11(12)9-13-7-4-5-10(2)6-8-13/h10-11H,3-9,12H2,1-2H3/t10?,11-/m1/s1
InChIKeyWBDLSRXPQFCEQP-RRKGBCIJSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N1,N1,4-trimethylpentane-1,2-diamine
CID 28599421
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
(1-Amino-4-methylpentan-2-yl)dimethylamine
CID 16228003
1-(Azepan-1-yl)propan-2-amine
CID 16643484
(2-(Azepan-1-yl)ethyl)(propan-2-yl)amine
CID 23518735
N,N-dimethylazepan-3-amine
CID 56686919
(1-Methylazepan-3-yl)methanamine
CID 83904938
1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine
CID 75383148
4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine
CID 84588330
(3S)-N,N-dimethylazepan-3-amine
CID 10558729
(1-Amino-4-methylpentan-2-yl)diethylamine
CID 42933681
3-(1-Methylazepan-4-yl)propan-1-amine
CID 82598288

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylazepan-1-yl)butan-2-amine?
The IUPAC name of (2R)-1-(4-methylazepan-1-yl)butan-2-amine (CID 130522357) is (2R)-1-(4-methylazepan-1-yl)butan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylazepan-1-yl)butan-2-amine?
The canonical SMILES for (2R)-1-(4-methylazepan-1-yl)butan-2-amine is CC[C@@H](N)CN1CCCC(C)CC1.
What is the InChIKey of (2R)-1-(4-methylazepan-1-yl)butan-2-amine?
The InChIKey is WBDLSRXPQFCEQP-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-11(12)9-13-7-4-5-10(2)6-8-13/h10-11H,3-9,12H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(4-methylazepan-1-yl)butan-2-amine?
(2R)-1-(4-methylazepan-1-yl)butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylazepan-1-yl)butan-2-amine is sourced from PubChem (CID 130522357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).