N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine

C10H18F3N — CID 121474431

IUPACN-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H18F3N/c1-8(2)14(7-9-3-4-9)6-5-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyZAWRKUOAYGYKRI-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds5

About N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine

N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine (PubChem CID 121474431) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
PubChem CID121474431
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H18F3N/c1-8(2)14(7-9-3-4-9)6-5-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyZAWRKUOAYGYKRI-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine (CID 121474431) is N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine is CC(C)N(CCC(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine?
The InChIKey is ZAWRKUOAYGYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2)14(7-9-3-4-9)6-5-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine?
N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 121474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).