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

C18H28N2O — CID 79971747

IUPAC1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H28N2O/c1-20(13-15-6-4-5-11-21-15)18(12-19)17-8-3-2-7-16(17)14-9-10-14/h2-3,7-8,14-15,18H,4-6,9-13,19H2,1H3
InChIKeyKBNXVWQAJKHJOL-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds6

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

1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 79971747) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID79971747
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H28N2O/c1-20(13-15-6-4-5-11-21-15)18(12-19)17-8-3-2-7-16(17)14-9-10-14/h2-3,7-8,14-15,18H,4-6,9-13,19H2,1H3
InChIKeyKBNXVWQAJKHJOL-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62698125
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
1-isoquinolin-4-yl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104504094
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79578592
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 54983746
N-methyl-1-(6-methyl-3-pyridinyl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 104822193
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
N-methyl-1-(3-methylimidazol-4-yl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 66117724
N-[(4-bromothiophen-2-yl)methyl]-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79972870

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 79971747) is 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is CN(CC1CCCCO1)C(CN)c1ccccc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is KBNXVWQAJKHJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(13-15-6-4-5-11-21-15)18(12-19)17-8-3-2-7-16(17)14-9-10-14/h2-3,7-8,14-15,18H,4-6,9-13,19H2,1H3.
What are the key properties of 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79971747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).