(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine

C11H24N2 — CID 174295591

IUPAC(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
SMILESCN[C@@H]1CCC(C)CN(C(C)C)C1
InChIInChI=1S/C11H24N2/c1-9(2)13-7-10(3)5-6-11(8-13)12-4/h9-12H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyJXYPQRDDULPWQF-RRKGBCIJSA-N
MW184.33 g/mol
LogP1.71
Rot. Bonds2

About (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine

(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine (PubChem CID 174295591) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine.

Molecular Properties

Compound Name(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
PubChem CID174295591
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
SMILESCN[C@@H]1CCC(C)CN(C(C)C)C1
InChIInChI=1S/C11H24N2/c1-9(2)13-7-10(3)5-6-11(8-13)12-4/h9-12H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyJXYPQRDDULPWQF-RRKGBCIJSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
CID 129237445
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
N,4-dimethylcyclohexan-1-amine;hydrochloride
CID 18472520
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141

Frequently Asked Questions

What is the IUPAC name of (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine?
The IUPAC name of (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine (CID 174295591) is (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine.
What is the SMILES notation for (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine?
The canonical SMILES for (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine is CN[C@@H]1CCC(C)CN(C(C)C)C1.
What is the InChIKey of (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine?
The InChIKey is JXYPQRDDULPWQF-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)13-7-10(3)5-6-11(8-13)12-4/h9-12H,5-8H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine?
(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine is sourced from PubChem (CID 174295591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).