N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine

C17H28N2 — CID 166981057

IUPACN-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine
SMILESC/C=C(\N=C\CC)C(NC1CCCCC1)=C1CCC1
InChIInChI=1S/C17H28N2/c1-3-13-18-16(4-2)17(14-9-8-10-14)19-15-11-6-5-7-12-15/h4,13,15,19H,3,5-12H2,1-2H3/b16-4-,18-13+
InChIKeyBRSYHYFFCMVSQH-PVXOOVMFSA-N
MW260.42 g/mol
LogP4.73
Rot. Bonds5

About N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine

N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine (PubChem CID 166981057) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine
PubChem CID166981057
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine
SMILESC/C=C(\N=C\CC)C(NC1CCCCC1)=C1CCC1
InChIInChI=1S/C17H28N2/c1-3-13-18-16(4-2)17(14-9-8-10-14)19-15-11-6-5-7-12-15/h4,13,15,19H,3,5-12H2,1-2H3/b16-4-,18-13+
InChIKeyBRSYHYFFCMVSQH-PVXOOVMFSA-N
XLogP4.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-1,2,8,8a-tetrahydroquinoxaline
CID 130349886
3-butylcyclohepta-1,3,5-triene;ethane;4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
CID 143682774
2-N-[(4-ethanimidoylcyclohexa-1,3-dien-1-yl)methyl]-6-methylhepta-1,6-diene-2,3-diamine
CID 144648298
N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine
CID 171074691

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine?
The IUPAC name of N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine (CID 166981057) is N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine.
What is the SMILES notation for N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine?
The canonical SMILES for N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine is C/C=C(\N=C\CC)C(NC1CCCCC1)=C1CCC1.
What is the InChIKey of N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine?
The InChIKey is BRSYHYFFCMVSQH-PVXOOVMFSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-13-18-16(4-2)17(14-9-8-10-14)19-15-11-6-5-7-12-15/h4,13,15,19H,3,5-12H2,1-2H3/b16-4-,18-13+.
What are the key properties of N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine?
N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine has a molecular weight of 260.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclobutylidene-2-(propylideneamino)but-2-enyl]cyclohexanamine is sourced from PubChem (CID 166981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).