N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H30N2O — CID 63631217

IUPACN-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-10-8-16(9-11-17)18(12-19)20(3)13-15-6-4-5-7-15/h8-11,14-15,18H,4-7,12-13,19H2,1-3H3
InChIKeyALHSWQUNRFZPEQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.60
Rot. Bonds7

About N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 63631217) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID63631217
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-10-8-16(9-11-17)18(12-19)20(3)13-15-6-4-5-7-15/h8-11,14-15,18H,4-7,12-13,19H2,1-3H3
InChIKeyALHSWQUNRFZPEQ-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61444758
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 63631217) is N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(CN)N(C)CC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is ALHSWQUNRFZPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)21-17-10-8-16(9-11-17)18(12-19)20(3)13-15-6-4-5-7-15/h8-11,14-15,18H,4-7,12-13,19H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).