1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine

C18H28N2O — CID 79968542

IUPAC1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H28N2O/c1-20(12-14-4-3-9-21-13-14)18(11-19)17-6-2-5-16(10-17)15-7-8-15/h2,5-6,10,14-15,18H,3-4,7-9,11-13,19H2,1H3
InChIKeyZWJMXQCYNFDLEG-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.92
Rot. Bonds6

About 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine

1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 79968542) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
PubChem CID79968542
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H28N2O/c1-20(12-14-4-3-9-21-13-14)18(11-19)17-6-2-5-16(10-17)15-7-8-15/h2,5-6,10,14-15,18H,3-4,7-9,11-13,19H2,1H3
InChIKeyZWJMXQCYNFDLEG-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 65021924
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63725937
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
1-(4-chlorothiophen-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79427953
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine (CID 79968542) is 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine is CN(CC1CCCOC1)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZWJMXQCYNFDLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(12-14-4-3-9-21-13-14)18(11-19)17-6-2-5-16(10-17)15-7-8-15/h2,5-6,10,14-15,18H,3-4,7-9,11-13,19H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine?
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79968542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).