1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine

C14H23N5 — CID 146077239

IUPAC1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(C=C1CCCCC1)NCc1nnnn1C1CC1
InChIInChI=1S/C14H23N5/c1-11(9-12-5-3-2-4-6-12)15-10-14-16-17-18-19(14)13-7-8-13/h9,11,13,15H,2-8,10H2,1H3
InChIKeyWTXQDSQJCPBSLN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds5

About 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine

1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine (PubChem CID 146077239) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine
PubChem CID146077239
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(C=C1CCCCC1)NCc1nnnn1C1CC1
InChIInChI=1S/C14H23N5/c1-11(9-12-5-3-2-4-6-12)15-10-14-16-17-18-19(14)13-7-8-13/h9,11,13,15H,2-8,10H2,1H3
InChIKeyWTXQDSQJCPBSLN-UHFFFAOYSA-N
XLogP2.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine (CID 146077239) is 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine is CC(C=C1CCCCC1)NCc1nnnn1C1CC1.
What is the InChIKey of 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine?
The InChIKey is WTXQDSQJCPBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(9-12-5-3-2-4-6-12)15-10-14-16-17-18-19(14)13-7-8-13/h9,11,13,15H,2-8,10H2,1H3.
What are the key properties of 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine?
1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-N-[(1-cyclopropyltetrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 146077239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).