(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine

C14H26F3N — CID 153298705

IUPAC(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
SMILESCC(C)CCN(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-10(2)7-8-18(9-12-5-6-12)13(11(3)4)14(15,16)17/h10-13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyQJEQCLKKVJPXJN-ZDUSSCGKSA-N
MW265.36 g/mol
LogP4.33
Rot. Bonds7

About (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine

(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine (PubChem CID 153298705) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
PubChem CID153298705
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
SMILESCC(C)CCN(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-10(2)7-8-18(9-12-5-6-12)13(11(3)4)14(15,16)17/h10-13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyQJEQCLKKVJPXJN-ZDUSSCGKSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine
CID 57486593
N-(cyclopropylmethyl)-N-(2-fluoroethyl)-2-methylpropan-2-amine
CID 59134888
N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-2,2-dimethylpropan-1-amine
CID 88440343
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 89290934
1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
CID 90999431
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 115257908
1-(1,1,1-Trifluoro-3-methylbutan-2-yl)pyrrolidine
CID 117706286
N-(cyclopropylmethyl)-N-ethyl-2,2-difluoroethanamine
CID 117743529
4,4,4-trifluoro-N,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 117937206
4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
CID 117937245

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine (CID 153298705) is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine is CC(C)CCN(CC1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The InChIKey is QJEQCLKKVJPXJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26F3N/c1-10(2)7-8-18(9-12-5-6-12)13(11(3)4)14(15,16)17/h10-13H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine is sourced from PubChem (CID 153298705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).