N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C18H30N2O — CID 62575486

IUPACN-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-20(15-16-9-11-18(21-2)12-10-16)14-13-19-17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3
InChIKeyUTAIJYUDYGIUFQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62575486) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62575486
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-20(15-16-9-11-18(21-2)12-10-16)14-13-19-17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3
InChIKeyUTAIJYUDYGIUFQ-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide
CID 138047830
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62575486) is N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is COc1ccc(CN(C)CCNC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is UTAIJYUDYGIUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(15-16-9-11-18(21-2)12-10-16)14-13-19-17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3.
What are the key properties of N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62575486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).