[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine

C16H29N5 — CID 74610335

IUPAC[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
SMILESCCC=CCCCN1CCC(Cn2cc(CN)nn2)CC1
InChIInChI=1S/C16H29N5/c1-2-3-4-5-6-9-20-10-7-15(8-11-20)13-21-14-16(12-17)18-19-21/h3-4,14-15H,2,5-13,17H2,1H3
InChIKeySTMRQRBEMJDXMB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.20
Rot. Bonds8

About [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine

[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine (PubChem CID 74610335) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
PubChem CID74610335
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
SMILESCCC=CCCCN1CCC(Cn2cc(CN)nn2)CC1
InChIInChI=1S/C16H29N5/c1-2-3-4-5-6-9-20-10-7-15(8-11-20)13-21-14-16(12-17)18-19-21/h3-4,14-15H,2,5-13,17H2,1H3
InChIKeySTMRQRBEMJDXMB-UHFFFAOYSA-N
XLogP2.20
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-{[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-N-methylmethanamine
CID 46983053
N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46984898
N-methyl-1-[1-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 65529970
[1-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 65530931
N-[(1-{[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 45219872
({1-[1-(2-ethylhexyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}methyl)methylamine
CID 46999846
1-[1-(17-ethyl-18-methylcyclotetratriaconta-10,13,22,25-tetraen-1-yl)triazol-4-yl]-N,N-dimethylmethanamine
CID 123964775
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]hex-5-en-1-amine
CID 134232763
Ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 165137326
[1-[3-(4-Propan-2-yltriazol-1-yl)propyl]piperidin-4-yl]methanamine
CID 166750944
1-[1-[(7-cyclopropyl-2H-pyrido[1,2-a]pyrazin-3-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 175623985
4-Ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine
CID 176983181

Frequently Asked Questions

What is the IUPAC name of [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine (CID 74610335) is [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine is CCC=CCCCN1CCC(Cn2cc(CN)nn2)CC1.
What is the InChIKey of [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is STMRQRBEMJDXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-2-3-4-5-6-9-20-10-7-15(8-11-20)13-21-14-16(12-17)18-19-21/h3-4,14-15H,2,5-13,17H2,1H3.
What are the key properties of [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine?
[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 74610335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).