N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine

C15H30N2 — CID 79074440

IUPACN,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine
SMILESC=CCCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H30N2/c1-6-7-8-14(16-3)15(17(4)5)11-9-13(2)10-12-15/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyMNPDPNCGJKLTTK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds6

About N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine (PubChem CID 79074440) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine
PubChem CID79074440
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine
SMILESC=CCCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H30N2/c1-6-7-8-14(16-3)15(17(4)5)11-9-13(2)10-12-15/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyMNPDPNCGJKLTTK-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
CID 79074031
N,N-dimethyl-1-[1-(methylamino)hex-5-enyl]cyclopentan-1-amine
CID 79069765
N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
CID 113374361
N,N,4-trimethyl-1-[3-methyl-1-(methylamino)butyl]cyclohexan-1-amine
CID 79074140
1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
CID 82922643
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79570647
N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011177
1-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074963
1-(1-hydrazinyl-4-methylpent-4-enyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243454
1-(1-hydrazinylhexyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243536
1-(1-hydrazinyloct-7-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 107012549

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine (CID 79074440) is N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine is C=CCCC(NC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine?
The InChIKey is MNPDPNCGJKLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-7-8-14(16-3)15(17(4)5)11-9-13(2)10-12-15/h6,13-14,16H,1,7-12H2,2-5H3.
What are the key properties of N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine is sourced from PubChem (CID 79074440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).