N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine

C16H28N4 — CID 114691580

IUPACN-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1nncc1C1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H28N4/c1-3-8-20-16(11-18-19-20)15-9-12(2)4-5-13(15)10-17-14-6-7-14/h11-15,17H,3-10H2,1-2H3
InChIKeyVOFNBXLONGMUJI-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.96
Rot. Bonds6

About N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine

N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114691580) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114691580
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1nncc1C1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H28N4/c1-3-8-20-16(11-18-19-20)15-9-12(2)4-5-13(15)10-17-14-6-7-14/h11-15,17H,3-10H2,1-2H3
InChIKeyVOFNBXLONGMUJI-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine (CID 114691580) is N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine is CCCn1nncc1C1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is VOFNBXLONGMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-8-20-16(11-18-19-20)15-9-12(2)4-5-13(15)10-17-14-6-7-14/h11-15,17H,3-10H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 276.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114691580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).