(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine

C19H22N2 — CID 10912863

IUPAC(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESc1ccc(CN(Cc2ccccc2)C2[C@H]3CNC[C@@H]23)cc1
InChIInChI=1S/C19H22N2/c1-3-7-15(8-4-1)13-21(14-16-9-5-2-6-10-16)19-17-11-20-12-18(17)19/h1-10,17-20H,11-14H2/t17-,18+,19?
InChIKeyKDGSINLHKLATBU-DFNIBXOVSA-N
MW278.40 g/mol
LogP2.91
Rot. Bonds5

About (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 10912863) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID10912863
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESc1ccc(CN(Cc2ccccc2)C2[C@H]3CNC[C@@H]23)cc1
InChIInChI=1S/C19H22N2/c1-3-7-15(8-4-1)13-21(14-16-9-5-2-6-10-16)19-17-11-20-12-18(17)19/h1-10,17-20H,11-14H2/t17-,18+,19?
InChIKeyKDGSINLHKLATBU-DFNIBXOVSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-4-ethylpyrrolidin-3-amine
CID 130163577
(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 91299197
N,N-dibenzylcyclobutanamine
CID 70822586
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
6-(dibenzylamino)azepan-4-one
CID 122416944
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
(5R)-N,N-dibenzyl-3-(4-propan-2-ylphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 90969145
(5R)-N,N-dibenzyl-3-(2,3,4-trifluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 91431585
(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 91519185
lithium N,N-dibenzylcyclopropanamine
CID 134888964
N-benzyl-N,5-dimethylpiperidin-3-amine
CID 164648058

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 10912863) is (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine is c1ccc(CN(Cc2ccccc2)C2[C@H]3CNC[C@@H]23)cc1.
What is the InChIKey of (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is KDGSINLHKLATBU-DFNIBXOVSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-7-15(8-4-1)13-21(14-16-9-5-2-6-10-16)19-17-11-20-12-18(17)19/h1-10,17-20H,11-14H2/t17-,18+,19?.
What are the key properties of (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 278.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 10912863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).