4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine

C14H28N2 — CID 114473388

IUPAC4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
SMILESC=C(C)CCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-4-10-16(11-9-12(2)3)14-7-5-13(15)6-8-14/h13-14H,2,4-11,15H2,1,3H3
InChIKeyQKKUEYVAVCZOJJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.93
Rot. Bonds6

About 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 114473388) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID114473388
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
SMILESC=C(C)CCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-4-10-16(11-9-12(2)3)14-7-5-13(15)6-8-14/h13-14H,2,4-11,15H2,1,3H3
InChIKeyQKKUEYVAVCZOJJ-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
CID 79117513
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
CID 64747486

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine (CID 114473388) is 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine is C=C(C)CCN(CCC)C1CCC(N)CC1.
What is the InChIKey of 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is QKKUEYVAVCZOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-10-16(11-9-12(2)3)14-7-5-13(15)6-8-14/h13-14H,2,4-11,15H2,1,3H3.
What are the key properties of 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 114473388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).