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

C8H20Cl2N2 — CID 170898378

IUPAC(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
SMILESCN(C)[C@H]1CCCCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)8-5-3-4-6-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyRBHTVUURYDKPIH-JZGIKJSDSA-N
MW215.17 g/mol
LogP1.53
Rot. Bonds1

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

(3S)-N,N-dimethylazepan-3-amine;dihydrochloride (PubChem CID 170898378) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is (3S)-N,N-dimethylazepan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
PubChem CID170898378
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
SMILESCN(C)[C@H]1CCCCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)8-5-3-4-6-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyRBHTVUURYDKPIH-JZGIKJSDSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 56831585
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
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N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-methyl-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 127263584
methyl(piperidin-3-yl)cyanamide
CID 105428076
N-methyl-N-piperidin-3-ylmethanesulfinamide
CID 130905817
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine
CID 62642462
N-[cyclohexyl(methyl)sulfamoyl]-N-methylpyrrolidin-3-amine;hydrochloride
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N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylazepan-3-amine;dihydrochloride?
The IUPAC name of (3S)-N,N-dimethylazepan-3-amine;dihydrochloride (CID 170898378) is (3S)-N,N-dimethylazepan-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-N,N-dimethylazepan-3-amine;dihydrochloride?
The canonical SMILES for (3S)-N,N-dimethylazepan-3-amine;dihydrochloride is CN(C)[C@H]1CCCCNC1.Cl.Cl.
What is the InChIKey of (3S)-N,N-dimethylazepan-3-amine;dihydrochloride?
The InChIKey is RBHTVUURYDKPIH-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-10(2)8-5-3-4-6-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of (3S)-N,N-dimethylazepan-3-amine;dihydrochloride?
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.53, 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;dihydrochloride is sourced from PubChem (CID 170898378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).