N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

C17H32N4 — CID 107059337

IUPACN-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1Cc1cn(C)nn1
InChIInChI=1S/C17H32N4/c1-5-8-18-11-15-7-6-14(13(2)3)9-16(15)10-17-12-21(4)20-19-17/h12-16,18H,5-11H2,1-4H3
InChIKeyUFCCUGZUOHOKCA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.05
Rot. Bonds7

About N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 107059337) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID107059337
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1Cc1cn(C)nn1
InChIInChI=1S/C17H32N4/c1-5-8-18-11-15-7-6-14(13(2)3)9-16(15)10-17-12-21(4)20-19-17/h12-16,18H,5-11H2,1-4H3
InChIKeyUFCCUGZUOHOKCA-UHFFFAOYSA-N
XLogP3.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 107059337) is N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C(C)C)CC1Cc1cn(C)nn1.
What is the InChIKey of N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is UFCCUGZUOHOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-8-18-11-15-7-6-14(13(2)3)9-16(15)10-17-12-21(4)20-19-17/h12-16,18H,5-11H2,1-4H3.
What are the key properties of N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 107059337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).