2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

C17H30N2S — CID 80998776

IUPAC2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-13(2)10-18-11-15-7-8-17(15)19(14(3)4)12-16-6-5-9-20-16/h5-6,9,13-15,17-18H,7-8,10-12H2,1-4H3
InChIKeyIFTVQBIFNCPMSL-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.98
Rot. Bonds8

About 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80998776) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID80998776
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-13(2)10-18-11-15-7-8-17(15)19(14(3)4)12-16-6-5-9-20-16/h5-6,9,13-15,17-18H,7-8,10-12H2,1-4H3
InChIKeyIFTVQBIFNCPMSL-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996992
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80998753
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 80998776) is 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CC(C)CNCC1CCC1N(Cc1cccs1)C(C)C.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is IFTVQBIFNCPMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-13(2)10-18-11-15-7-8-17(15)19(14(3)4)12-16-6-5-9-20-16/h5-6,9,13-15,17-18H,7-8,10-12H2,1-4H3.
What are the key properties of 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).