N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine

C14H24N2 — CID 22567860

IUPACN-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine
SMILESC=CCN(C)CC#CC1CCC(NC)CC1
InChIInChI=1S/C14H24N2/c1-4-11-16(3)12-5-6-13-7-9-14(15-2)10-8-13/h4,13-15H,1,7-12H2,2-3H3
InChIKeyUYHGSIISMBJRIJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine

N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine (PubChem CID 22567860) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine
PubChem CID22567860
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine
SMILESC=CCN(C)CC#CC1CCC(NC)CC1
InChIInChI=1S/C14H24N2/c1-4-11-16(3)12-5-6-13-7-9-14(15-2)10-8-13/h4,13-15H,1,7-12H2,2-3H3
InChIKeyUYHGSIISMBJRIJ-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine (CID 22567860) is N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine is C=CCN(C)CC#CC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine?
The InChIKey is UYHGSIISMBJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-11-16(3)12-5-6-13-7-9-14(15-2)10-8-13/h4,13-15H,1,7-12H2,2-3H3.
What are the key properties of N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine?
N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[methyl(prop-2-enyl)amino]prop-1-ynyl]cyclohexan-1-amine is sourced from PubChem (CID 22567860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).