(3S)-N,N-dimethylazepan-3-amine

C8H18N2 — CID 10558729

IUPAC(3S)-N,N-dimethylazepan-3-amine
SMILESCN(C)[C@H]1CCCCNC1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyRRKCNYMLYVVFAP-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds1

About (3S)-N,N-dimethylazepan-3-amine

(3S)-N,N-dimethylazepan-3-amine (PubChem CID 10558729) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3S)-N,N-dimethylazepan-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethylazepan-3-amine
PubChem CID10558729
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3S)-N,N-dimethylazepan-3-amine
SMILESCN(C)[C@H]1CCCCNC1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyRRKCNYMLYVVFAP-QMMMGPOBSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydro-1H-azepine-1-ethanamine
CID 40002
Azepan-3-amine
CID 2756445
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
N-(2-aminoethyl)-N-methylcyclohexanamine
CID 7138281
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
N,N'-Bis(2-hexyl)-ethylenediamine
CID 469906
1-(1-Ethylpiperidin-4-yl)-1,4-diazepane
CID 61057953
N-(3-Azepanyl)-N-methylamine
CID 2756577
2-Ethylazepane
CID 4335932
5,7-Dimethyl-1,4-diazepane
CID 6396094
(2-(Cyclopentylamino)ethyl)dimethylamine
CID 6486624
dimethyl({[(2R)-piperidin-2-yl]methyl})amine
CID 6993259

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylazepan-3-amine?
The IUPAC name of (3S)-N,N-dimethylazepan-3-amine (CID 10558729) is (3S)-N,N-dimethylazepan-3-amine.
What is the SMILES notation for (3S)-N,N-dimethylazepan-3-amine?
The canonical SMILES for (3S)-N,N-dimethylazepan-3-amine is CN(C)[C@H]1CCCCNC1.
What is the InChIKey of (3S)-N,N-dimethylazepan-3-amine?
The InChIKey is RRKCNYMLYVVFAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-N,N-dimethylazepan-3-amine?
(3S)-N,N-dimethylazepan-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethylazepan-3-amine is sourced from PubChem (CID 10558729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).