4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine

C11H21F3N2 — CID 106219307

IUPAC4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine
SMILESCC(C)(C)C(N)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2,3)8(15)4-7-16-10(5-6-10)11(12,13)14/h8,16H,4-7,15H2,1-3H3
InChIKeyNZKXGQWNNOFVLK-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.43
Rot. Bonds4

About 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine

4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine (PubChem CID 106219307) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine
PubChem CID106219307
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine
SMILESCC(C)(C)C(N)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2,3)8(15)4-7-16-10(5-6-10)11(12,13)14/h8,16H,4-7,15H2,1-3H3
InChIKeyNZKXGQWNNOFVLK-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-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

N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine
CID 70646110
N-tert-butyl-2,2-difluoro-5,5-dimethylhexan-1-amine
CID 89110128
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
CID 122599078
2,2-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 122599122
2,2-dimethyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 122599130
4,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-1-amine
CID 153298564
2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
CID 153298701
N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 155346495
N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine
CID 156746004
2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine
CID 167306357
N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine
CID 169691670
2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine
CID 170692691

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine?
The IUPAC name of 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine (CID 106219307) is 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine.
What is the SMILES notation for 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine?
The canonical SMILES for 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine is CC(C)(C)C(N)CCNC1(C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine?
The InChIKey is NZKXGQWNNOFVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2,3)8(15)4-7-16-10(5-6-10)11(12,13)14/h8,16H,4-7,15H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine?
4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine is sourced from PubChem (CID 106219307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).