N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine

C16H26N2O — CID 115207098

IUPACN'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1cc(C)cc(C)c1CCNCCNC1CC1
InChIInChI=1S/C16H26N2O/c1-12-10-13(2)15(16(11-12)19-3)6-7-17-8-9-18-14-4-5-14/h10-11,14,17-18H,4-9H2,1-3H3
InChIKeyTVWUZQMSXKGZMH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.20
Rot. Bonds8

About N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115207098) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115207098
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1cc(C)cc(C)c1CCNCCNC1CC1
InChIInChI=1S/C16H26N2O/c1-12-10-13(2)15(16(11-12)19-3)6-7-17-8-9-18-14-4-5-14/h10-11,14,17-18H,4-9H2,1-3H3
InChIKeyTVWUZQMSXKGZMH-UHFFFAOYSA-N
XLogP2.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine (CID 115207098) is N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine is COc1cc(C)cc(C)c1CCNCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is TVWUZQMSXKGZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-13(2)15(16(11-12)19-3)6-7-17-8-9-18-14-4-5-14/h10-11,14,17-18H,4-9H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115207098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).