4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine

C13H26N2 — CID 79111807

IUPAC4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
SMILESC=CCCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C13H26N2/c1-3-5-11-15(10-4-2)13-8-6-12(14)7-9-13/h3,12-13H,1,4-11,14H2,2H3
InChIKeyWXAPTWYXNNOPIM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds6

About 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine

4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111807) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111807
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
SMILESC=CCCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C13H26N2/c1-3-5-11-15(10-4-2)13-8-6-12(14)7-9-13/h3,12-13H,1,4-11,14H2,2H3
InChIKeyWXAPTWYXNNOPIM-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine (CID 79111807) is 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine is C=CCCN(CCC)C1CCC(N)CC1.
What is the InChIKey of 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is WXAPTWYXNNOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-11-15(10-4-2)13-8-6-12(14)7-9-13/h3,12-13H,1,4-11,14H2,2H3.
What are the key properties of 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine?
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).