N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine

C16H31N5 — CID 62423750

IUPACN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
SMILESCCN(CCn1cc(CNC(C)C)nn1)C1CCCCC1
InChIInChI=1S/C16H31N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBYMOMPWBTCFURR-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.43
Rot. Bonds8

About N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine

N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine (PubChem CID 62423750) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
PubChem CID62423750
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
SMILESCCN(CCn1cc(CNC(C)C)nn1)C1CCCCC1
InChIInChI=1S/C16H31N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBYMOMPWBTCFURR-UHFFFAOYSA-N
XLogP2.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62423786
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
CID 62421792
N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62440052
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine (CID 62423750) is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine is CCN(CCn1cc(CNC(C)C)nn1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine?
The InChIKey is BYMOMPWBTCFURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine?
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine has a molecular weight of 293.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine is sourced from PubChem (CID 62423750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).