N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H29F3N2 — CID 62256736

IUPACN-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2/c1-4-9-19-10-14(5-2,6-3)11-20(13-7-8-13)12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyFUVIVUULAXUCPW-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.82
Rot. Bonds10

About N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256736) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256736
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2/c1-4-9-19-10-14(5-2,6-3)11-20(13-7-8-13)12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyFUVIVUULAXUCPW-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.82
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

N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
N-cyclopropyl-N',2-diethyl-2-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256566
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256737
N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 64520870
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
N-cyclohexyl-N,N',2,2-tetraethylpropane-1,3-diamine
CID 63482848
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256736) is N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCNCC(CC)(CC)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is FUVIVUULAXUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-4-9-19-10-14(5-2,6-3)11-20(13-7-8-13)12-15(16,17)18/h13,19H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 294.41 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).