2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine

C16H26N2 — CID 64586742

IUPAC2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine
SMILESCCCCN(c1ccccc1)C(C)(CN)C1CC1
InChIInChI=1S/C16H26N2/c1-3-4-12-18(15-8-6-5-7-9-15)16(2,13-17)14-10-11-14/h5-9,14H,3-4,10-13,17H2,1-2H3
InChIKeyXNARUIMVGRELKL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds7

About 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine

2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine (PubChem CID 64586742) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine
PubChem CID64586742
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine
SMILESCCCCN(c1ccccc1)C(C)(CN)C1CC1
InChIInChI=1S/C16H26N2/c1-3-4-12-18(15-8-6-5-7-9-15)16(2,13-17)14-10-11-14/h5-9,14H,3-4,10-13,17H2,1-2H3
InChIKeyXNARUIMVGRELKL-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine (CID 64586742) is 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine is CCCCN(c1ccccc1)C(C)(CN)C1CC1.
What is the InChIKey of 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine?
The InChIKey is XNARUIMVGRELKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-12-18(15-8-6-5-7-9-15)16(2,13-17)14-10-11-14/h5-9,14H,3-4,10-13,17H2,1-2H3.
What are the key properties of 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine?
2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-cyclopropyl-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 64586742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).