methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid

C15H28N2O2 — CID 22567663

IUPACmethyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid
SMILESCCCN(C)C/C=C/C1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-4-11-16(2)12-5-6-13-7-9-14(10-8-13)17(3)15(18)19/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)/b6-5+
InChIKeySMICDQXGKCLKLS-AATRIKPKSA-N
MW268.40 g/mol
LogP3.05
Rot. Bonds6

About methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid

methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid (PubChem CID 22567663) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid
PubChem CID22567663
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid
SMILESCCCN(C)C/C=C/C1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-4-11-16(2)12-5-6-13-7-9-14(10-8-13)17(3)15(18)19/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)/b6-5+
InChIKeySMICDQXGKCLKLS-AATRIKPKSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.05
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 methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid (CID 22567663) is methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid is CCCN(C)C/C=C/C1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid?
The InChIKey is SMICDQXGKCLKLS-AATRIKPKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-11-16(2)12-5-6-13-7-9-14(10-8-13)17(3)15(18)19/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)/b6-5+.
What are the key properties of methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid?
methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid has a molecular weight of 268.40 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 methyl-[4-[(E)-3-[methyl(propyl)amino]prop-1-enyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 22567663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).