N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine

C18H30N2 — CID 64586599

IUPACN-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
SMILESCCCCN(CC(C)(C)CNC1CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-5-13-20(17-9-7-6-8-10-17)15-18(2,3)14-19-16-11-12-16/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyNJLYWHLMOVXHQB-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.07
Rot. Bonds9

About N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine

N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine (PubChem CID 64586599) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
PubChem CID64586599
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
SMILESCCCCN(CC(C)(C)CNC1CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-5-13-20(17-9-7-6-8-10-17)15-18(2,3)14-19-16-11-12-16/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyNJLYWHLMOVXHQB-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
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-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine?
The IUPAC name of N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine (CID 64586599) is N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine?
The canonical SMILES for N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine is CCCCN(CC(C)(C)CNC1CC1)c1ccccc1.
What is the InChIKey of N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine?
The InChIKey is NJLYWHLMOVXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-13-20(17-9-7-6-8-10-17)15-18(2,3)14-19-16-11-12-16/h6-10,16,19H,4-5,11-15H2,1-3H3.
What are the key properties of N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine?
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 64586599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).