2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C14H27F3N2 — CID 80998753

IUPAC2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)7-18-8-12-5-6-13(12)19(11(3)4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3
InChIKeyANDNJRFGZUAKAH-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds7

About 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 80998753) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID80998753
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)7-18-8-12-5-6-13(12)19(11(3)4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3
InChIKeyANDNJRFGZUAKAH-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
CID 80999579
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80999197
2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
2-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylcyclobutan-1-amine
CID 80998217
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N-(2-methoxyethyl)-N-propan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 82953360
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 80998753) is 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CC(C)CNCC1CCC1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is ANDNJRFGZUAKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)7-18-8-12-5-6-13(12)19(11(3)4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3.
What are the key properties of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).