N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

C14H24N4 — CID 107064360

IUPACN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CC2CC2C1
InChIInChI=1S/C14H24N4/c1-3-4-15-14(8-13-9-18(2)17-16-13)12-6-10-5-11(10)7-12/h9-12,14-15H,3-8H2,1-2H3
InChIKeyZJBHDECHEJILSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 107064360) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID107064360
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CC2CC2C1
InChIInChI=1S/C14H24N4/c1-3-4-15-14(8-13-9-18(2)17-16-13)12-6-10-5-11(10)7-12/h9-12,14-15H,3-8H2,1-2H3
InChIKeyZJBHDECHEJILSR-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064608
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066631
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050078
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
CID 107049844
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030316
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (CID 107064360) is N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)C1CC2CC2C1.
What is the InChIKey of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is ZJBHDECHEJILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-15-14(8-13-9-18(2)17-16-13)12-6-10-5-11(10)7-12/h9-12,14-15H,3-8H2,1-2H3.
What are the key properties of N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107064360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).