4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine

C10H19F3N2 — CID 63877883

IUPAC4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
SMILESCC1CC1CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-7-5-8(7)6-15(2)9(3-4-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyNZLBAZOUHNSDRL-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.85
Rot. Bonds5

About 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine

4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine (PubChem CID 63877883) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
PubChem CID63877883
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
SMILESCC1CC1CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-7-5-8(7)6-15(2)9(3-4-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyNZLBAZOUHNSDRL-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The IUPAC name of 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine (CID 63877883) is 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The canonical SMILES for 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine is CC1CC1CN(C)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The InChIKey is NZLBAZOUHNSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-7-5-8(7)6-15(2)9(3-4-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 63877883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).