4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

C14H28N2 — CID 107898574

IUPAC4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESC/C=C/CN(C)C1CCC(NCCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-12-16(3)14-9-7-13(8-10-14)15-11-5-2/h4,6,13-15H,5,7-12H2,1-3H3/b6-4+
InChIKeyGKMKWZOPRJIOJY-GQCTYLIASA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds6

About 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 107898574) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID107898574
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESC/C=C/CN(C)C1CCC(NCCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-12-16(3)14-9-7-13(8-10-14)15-11-5-2/h4,6,13-15H,5,7-12H2,1-3H3/b6-4+
InChIKeyGKMKWZOPRJIOJY-GQCTYLIASA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
CID 131245731
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 79123103
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 102662655
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 112587794
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 107898574) is 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is C/C=C/CN(C)C1CCC(NCCC)CC1.
What is the InChIKey of 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is GKMKWZOPRJIOJY-GQCTYLIASA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-12-16(3)14-9-7-13(8-10-14)15-11-5-2/h4,6,13-15H,5,7-12H2,1-3H3/b6-4+.
What are the key properties of 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 107898574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).