N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

C9H17F3N2 — CID 106219094

IUPACN-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCCCNCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-13-6-7-14-8(3-4-8)9(10,11)12/h13-14H,2-7H2,1H3
InChIKeyDNSOYSPVEIFDGN-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds6

About N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (PubChem CID 106219094) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
PubChem CID106219094
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCCCNCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-13-6-7-14-8(3-4-8)9(10,11)12/h13-14H,2-7H2,1H3
InChIKeyDNSOYSPVEIFDGN-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]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-tert-butyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61608008
N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62428580
N'-cyclopropyl-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62573453
(1-Amino-2-methylpropan-2-yl)(2,2,2-trifluoroethyl)amine
CID 65376565
(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine
CID 87085026
N-ethyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 103439928
N-propyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 103439929
N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210273
N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210342
1-[1-(Trifluoromethyl)cyclopropyl]piperazine
CID 106211464
2-Methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211889
1-methyl-N-(2,2,2-trifluoroethyl)cyclopropan-1-amine
CID 116189461

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The IUPAC name of N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (CID 106219094) is N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.
What is the SMILES notation for N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The canonical SMILES for N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is CCCNCCNC1(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The InChIKey is DNSOYSPVEIFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-5-13-6-7-14-8(3-4-8)9(10,11)12/h13-14H,2-7H2,1H3.
What are the key properties of N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is sourced from PubChem (CID 106219094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).