3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane

C12H21N — CID 139380854

IUPAC3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
SMILESC1CCC(CN2CC3CC3C2)CC1
InChIInChI=1S/C12H21N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h10-12H,1-9H2
InChIKeyDRBZJIDQSPBSBT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.52
Rot. Bonds2

About 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane

3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 139380854) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID139380854
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
SMILESC1CCC(CN2CC3CC3C2)CC1
InChIInChI=1S/C12H21N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h10-12H,1-9H2
InChIKeyDRBZJIDQSPBSBT-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563547
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176841382
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565924
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
CID 176984978
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871
1-(cyclohexylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991902
N-cyclohexyl-1-(cyclopentylmethyl)-5-methylpiperidin-3-amine
CID 83999504
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane (CID 139380854) is 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane is C1CCC(CN2CC3CC3C2)CC1.
What is the InChIKey of 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is DRBZJIDQSPBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h10-12H,1-9H2.
What are the key properties of 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane?
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 179.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139380854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).