2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine

C10H19F3N2 — CID 43752757

IUPAC2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-8-3-4-8)9(6-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLZYRFDXPTFXRKU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine (PubChem CID 43752757) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
PubChem CID43752757
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-8-3-4-8)9(6-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLZYRFDXPTFXRKU-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
CID 61440618
2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66270133
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 54948197
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine (CID 43752757) is 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine is CCCN(CC1CC1)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine?
The InChIKey is LZYRFDXPTFXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-5-15(7-8-3-4-8)9(6-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 43752757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).