N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine

C19H30N2 — CID 79969641

IUPACN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3
InChIKeyLAWHRLKKRAWVKK-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.07
Rot. Bonds8

About N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine

N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 79969641) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID79969641
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3
InChIKeyLAWHRLKKRAWVKK-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine (CID 79969641) is N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is LAWHRLKKRAWVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).