N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H29F3N2 — CID 62256739

IUPACN-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2/c1-5-14(4,9-19-8-12(2)3)10-20(13-6-7-13)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyDCBCPNGCPJAWRT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.67
Rot. Bonds9

About N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256739) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256739
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC NameN-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2/c1-5-14(4,9-19-8-12(2)3)10-20(13-6-7-13)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyDCBCPNGCPJAWRT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256739) is N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is DCBCPNGCPJAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-14(4,9-19-8-12(2)3)10-20(13-6-7-13)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3.
What are the key properties of N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).