1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine

C18H30N10 — CID 154720823

IUPAC1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(Cc2cn(C(C)C)nn2)Cc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C18H30N10/c1-13(2)26-10-16(19-22-26)7-25(8-17-11-27(14(3)4)23-20-17)9-18-12-28(15(5)6)24-21-18/h10-15H,7-9H2,1-6H3
InChIKeyNVQDJRNPIRSFQL-UHFFFAOYSA-N
MW386.51 g/mol
LogP2.41
Rot. Bonds9

About 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine

1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine (PubChem CID 154720823) has the molecular formula C18H30N10 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine
PubChem CID154720823
Molecular FormulaC18H30N10
Molecular Weight386.51 g/mol
Exact Mass386.27
IUPAC Name1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(Cc2cn(C(C)C)nn2)Cc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C18H30N10/c1-13(2)26-10-16(19-22-26)7-25(8-17-11-27(14(3)4)23-20-17)9-18-12-28(15(5)6)24-21-18/h10-15H,7-9H2,1-6H3
InChIKeyNVQDJRNPIRSFQL-UHFFFAOYSA-N
XLogP2.41
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Tris(3-hydroxypropyltriazolylmethyl)amine
CID 85325313
8-[4-[[Bis[[1-[8-[[ethenyl(oxido)azaniumylidene]amino]octyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]octylimino-ethenyl-oxidoazanium
CID 155520596
2,2',2''-[nitrilotris(Methanediyl-1h-1,2,3-Triazole-4,1-Diyl)]triethanol
CID 85325312
1-[[1-[3-[4-(1,5,9-Triazacyclododec-1-ylmethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]-1,5,9-triazacyclododecane
CID 57393419
tris(2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)ethyl)amine
CID 101795034
N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine
CID 102293265
1-(1,1-Dimethylethyl)-N,N-bis[[1-(1,1-dimethylethyl)-1H-1,2,3-triazol-4-yl]methyl]-1H-1,2,3-triazole-4-methanamine
CID 44517920
Tris[(1-hydroxypropyl-1h-1,2,3-triazol-4-yl)methyl]amine
CID 66749344
1-(1-butyltriazol-4-yl)-N,N-bis[(1-butyltriazol-4-yl)methyl]methanamine
CID 68944462
3-(4-((Bis((1-(tert-butyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 89891156
1-(1-cyclohexyltriazol-4-yl)-N,N-bis[(1-cyclohexyltriazol-4-yl)methyl]methanamine
CID 101806474
N,N,N',N'-tetrakis[(1-dodecyltriazol-4-yl)methyl]ethane-1,2-diamine
CID 102293261

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine (CID 154720823) is 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine is CC(C)n1cc(CN(Cc2cn(C(C)C)nn2)Cc2cn(C(C)C)nn2)nn1.
What is the InChIKey of 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine?
The InChIKey is NVQDJRNPIRSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N10/c1-13(2)26-10-16(19-22-26)7-25(8-17-11-27(14(3)4)23-20-17)9-18-12-28(15(5)6)24-21-18/h10-15H,7-9H2,1-6H3.
What are the key properties of 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine?
1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine has a molecular weight of 386.51 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 154720823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).