N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine

C18H30N2O3 — CID 119127207

IUPACN'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(OC)cc1CNCCN(C)C1CCCC1
InChIInChI=1S/C18H30N2O3/c1-20(15-7-5-6-8-15)10-9-19-13-14-11-17(22-3)18(23-4)12-16(14)21-2/h11-12,15,19H,5-10,13H2,1-4H3
InChIKeyQNIGIWQJIZJDAY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.68
Rot. Bonds9

About N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 119127207) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID119127207
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(OC)cc1CNCCN(C)C1CCCC1
InChIInChI=1S/C18H30N2O3/c1-20(15-7-5-6-8-15)10-9-19-13-14-11-17(22-3)18(23-4)12-16(14)21-2/h11-12,15,19H,5-10,13H2,1-4H3
InChIKeyQNIGIWQJIZJDAY-UHFFFAOYSA-N
XLogP2.68
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 63315050
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
CID 84746004
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
CID 63675933
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine (CID 119127207) is N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine is COc1cc(OC)c(OC)cc1CNCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is QNIGIWQJIZJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-20(15-7-5-6-8-15)10-9-19-13-14-11-17(22-3)18(23-4)12-16(14)21-2/h11-12,15,19H,5-10,13H2,1-4H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 322.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 119127207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).