N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C16H31N5 — CID 62428805

IUPACN-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCn1cc(CNC(C)(C)C)nn1)CC1CC1
InChIInChI=1S/C16H31N5/c1-5-8-20(12-14-6-7-14)9-10-21-13-15(18-19-21)11-17-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyYVWGJFWMHJQOGX-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.29
Rot. Bonds9

About N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62428805) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62428805
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCn1cc(CNC(C)(C)C)nn1)CC1CC1
InChIInChI=1S/C16H31N5/c1-5-8-20(12-14-6-7-14)9-10-21-13-15(18-19-21)11-17-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyYVWGJFWMHJQOGX-UHFFFAOYSA-N
XLogP2.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
CID 62461556
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62428805) is N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CCCN(CCn1cc(CNC(C)(C)C)nn1)CC1CC1.
What is the InChIKey of N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YVWGJFWMHJQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-8-20(12-14-6-7-14)9-10-21-13-15(18-19-21)11-17-16(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62428805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).