1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C13H25F3N2 — CID 62044269

IUPAC1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCNC(CCC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-3-5-11(17-8-4-2)9-18(12-6-7-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeySPGNJPOGTOMMEM-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.18
Rot. Bonds9

About 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 62044269) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID62044269
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCNC(CCC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-3-5-11(17-8-4-2)9-18(12-6-7-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeySPGNJPOGTOMMEM-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044049
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568495
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365
1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256736
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62974974
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233366

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 62044269) is 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCNC(CCC)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is SPGNJPOGTOMMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-5-11(17-8-4-2)9-18(12-6-7-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 62044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).