3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen

C14H26N2 — CID 143073261

IUPAC3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen
SMILESCN(C)C1C2CN(CC3=CCCC=C3)CC21.[H][H].[H][H]
InChIInChI=1S/C14H22N2.2H2/c1-15(2)14-12-9-16(10-13(12)14)8-11-6-4-3-5-7-11;;/h4,6-7,12-14H,3,5,8-10H2,1-2H3;2*1H
InChIKeyFONHIRSIHWFORG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds3

About 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen

3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen (PubChem CID 143073261) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen
PubChem CID143073261
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen
SMILESCN(C)C1C2CN(CC3=CCCC=C3)CC21.[H][H].[H][H]
InChIInChI=1S/C14H22N2.2H2/c1-15(2)14-12-9-16(10-13(12)14)8-11-6-4-3-5-7-11;;/h4,6-7,12-14H,3,5,8-10H2,1-2H3;2*1H
InChIKeyFONHIRSIHWFORG-UHFFFAOYSA-N
XLogP2.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen (CID 143073261) is 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen is CN(C)C1C2CN(CC3=CCCC=C3)CC21.[H][H].[H][H].
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen?
The InChIKey is FONHIRSIHWFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2H2/c1-15(2)14-12-9-16(10-13(12)14)8-11-6-4-3-5-7-11;;/h4,6-7,12-14H,3,5,8-10H2,1-2H3;2*1H.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen?
3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen has a molecular weight of 222.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen is sourced from PubChem (CID 143073261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).