4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

C12H25F3N2 — CID 62426193

IUPAC4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-10(2)8-16-7-5-6-11(3)17(4)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyPWSNOVLALONJTK-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.89
Rot. Bonds8

About 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (PubChem CID 62426193) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
PubChem CID62426193
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-10(2)8-16-7-5-6-11(3)17(4)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyPWSNOVLALONJTK-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 62426016
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
4-iodo-N-(2-methylpropyl)pentan-1-amine
CID 155459836
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
3-N-ethyl-2-methyl-1-N-(2-methylpropyl)-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 81012737

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (CID 62426193) is 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is CC(C)CNCCCC(C)N(C)CC(F)(F)F.
What is the InChIKey of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The InChIKey is PWSNOVLALONJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-10(2)8-16-7-5-6-11(3)17(4)9-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is sourced from PubChem (CID 62426193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).