N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine

C19H33NO — CID 138519060

IUPACN-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(CCC(C)C)CC2CCCCC2)C=C1
InChIInChI=1S/C19H33NO/c1-16(2)13-14-20(15-17-7-5-4-6-8-17)18-9-11-19(21-3)12-10-18/h9,11-12,16-18H,4-8,10,13-15H2,1-3H3
InChIKeyBMJIDSCRNKZABL-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.77
Rot. Bonds7

About N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine

N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine (PubChem CID 138519060) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
PubChem CID138519060
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(CCC(C)C)CC2CCCCC2)C=C1
InChIInChI=1S/C19H33NO/c1-16(2)13-14-20(15-17-7-5-4-6-8-17)18-9-11-19(21-3)12-10-18/h9,11-12,16-18H,4-8,10,13-15H2,1-3H3
InChIKeyBMJIDSCRNKZABL-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine (CID 138519060) is N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine is COC1=CCC(N(CCC(C)C)CC2CCCCC2)C=C1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is BMJIDSCRNKZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)13-14-20(15-17-7-5-4-6-8-17)18-9-11-19(21-3)12-10-18/h9,11-12,16-18H,4-8,10,13-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 138519060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).