N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

C14H27F3N2 — CID 106040935

IUPACN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-11(2)19(3)10-6-9-18-13-8-5-4-7-12(13)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyMZYIBMWRQVXVSE-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (PubChem CID 106040935) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
PubChem CID106040935
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-11(2)19(3)10-6-9-18-13-8-5-4-7-12(13)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyMZYIBMWRQVXVSE-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]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

Related Compounds

trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 113490412
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
1-methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111
tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
CID 103947617
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (CID 106040935) is N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is CC(C)N(C)CCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The InChIKey is MZYIBMWRQVXVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-11(2)19(3)10-6-9-18-13-8-5-4-7-12(13)14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is sourced from PubChem (CID 106040935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).