N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine

C18H31NO — CID 138519182

IUPACN-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(N(CC(C)C)CC2CCCCC2)=CC1
InChIInChI=1S/C18H31NO/c1-15(2)13-19(14-16-7-5-4-6-8-16)17-9-11-18(20-3)12-10-17/h9-11,15-16,18H,4-8,12-14H2,1-3H3
InChIKeyVXNHMWPJXOECBJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.38
Rot. Bonds6

About N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine

N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine (PubChem CID 138519182) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
PubChem CID138519182
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(N(CC(C)C)CC2CCCCC2)=CC1
InChIInChI=1S/C18H31NO/c1-15(2)13-19(14-16-7-5-4-6-8-16)17-9-11-18(20-3)12-10-17/h9-11,15-16,18H,4-8,12-14H2,1-3H3
InChIKeyVXNHMWPJXOECBJ-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.38
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-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine (CID 138519182) is N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine is COC1C=CC(N(CC(C)C)CC2CCCCC2)=CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is VXNHMWPJXOECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)13-19(14-16-7-5-4-6-8-16)17-9-11-18(20-3)12-10-17/h9-11,15-16,18H,4-8,12-14H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.38, 6 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-(2-methylpropyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 138519182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).