N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine

C9H16F3N — CID 146267020

IUPACN-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESC=C(CC)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-8(2)5-6-13(3)7-9(10,11)12/h2,4-7H2,1,3H3
InChIKeyIPFCDSAAYIJNJN-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine

N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 146267020) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID146267020
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESC=C(CC)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-8(2)5-6-13(3)7-9(10,11)12/h2,4-7H2,1,3H3
InChIKeyIPFCDSAAYIJNJN-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 146267020) is N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine is C=C(CC)CCN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is IPFCDSAAYIJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-4-8(2)5-6-13(3)7-9(10,11)12/h2,4-7H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 146267020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).