1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine

C13H20N2 — CID 79984483

IUPAC1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)13(9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13H,6-7,9,14H2,1-2H3
InChIKeyUHVILVOLPIMHAY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine

1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 79984483) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID79984483
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)13(9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13H,6-7,9,14H2,1-2H3
InChIKeyUHVILVOLPIMHAY-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 79969343
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(3-cyclopropylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912347
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine (CID 79984483) is 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is UHVILVOLPIMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)13(9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13H,6-7,9,14H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine?
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 79984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).