N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine

C16H32N2O — CID 90760601

IUPACN-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
SMILESC=CCN(C)C(CCCC)OC1CCC(NC)CC1
InChIInChI=1S/C16H32N2O/c1-5-7-8-16(18(4)13-6-2)19-15-11-9-14(17-3)10-12-15/h6,14-17H,2,5,7-13H2,1,3-4H3
InChIKeyAADSSHVWPXZNNP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.17
Rot. Bonds9

About N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine

N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine (PubChem CID 90760601) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
PubChem CID90760601
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
SMILESC=CCN(C)C(CCCC)OC1CCC(NC)CC1
InChIInChI=1S/C16H32N2O/c1-5-7-8-16(18(4)13-6-2)19-15-11-9-14(17-3)10-12-15/h6,14-17H,2,5,7-13H2,1,3-4H3
InChIKeyAADSSHVWPXZNNP-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine (CID 90760601) is N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine is C=CCN(C)C(CCCC)OC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The InChIKey is AADSSHVWPXZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-8-16(18(4)13-6-2)19-15-11-9-14(17-3)10-12-15/h6,14-17H,2,5,7-13H2,1,3-4H3.
What are the key properties of N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine is sourced from PubChem (CID 90760601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).