N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H25F3N2 — CID 62554816

IUPACN-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCC(C)NCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2/c1-5-6-11(4)16-7-8-17(10(2)3)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyZDXTXSPTHJWBCI-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds8

About N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554816) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554816
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCC(C)NCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2/c1-5-6-11(4)16-7-8-17(10(2)3)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyZDXTXSPTHJWBCI-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
CID 62554657
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568495
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 55144695
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
CID 102723313
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62556804
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265797
N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718789

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554816) is N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCC(C)NCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZDXTXSPTHJWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-6-11(4)16-7-8-17(10(2)3)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).