N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine

C16H24N2 — CID 79982386

IUPACN-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c17-11-16(18-10-9-12-5-6-12)15-4-2-1-3-14(15)13-7-8-13/h1-4,12-13,16,18H,5-11,17H2
InChIKeyOMFXZVUQYDFCBD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.95
Rot. Bonds7

About N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine

N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine (PubChem CID 79982386) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
PubChem CID79982386
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c17-11-16(18-10-9-12-5-6-12)15-4-2-1-3-14(15)13-7-8-13/h1-4,12-13,16,18H,5-11,17H2
InChIKeyOMFXZVUQYDFCBD-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine (CID 79982386) is N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine is NCC(NCCC1CC1)c1ccccc1C1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The InChIKey is OMFXZVUQYDFCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-11-16(18-10-9-12-5-6-12)15-4-2-1-3-14(15)13-7-8-13/h1-4,12-13,16,18H,5-11,17H2.
What are the key properties of N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).