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

C17H28N2S — CID 80996454

IUPACN-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H28N2S/c1-13(2)10-18-11-14-5-8-17(14)19(15-6-7-15)12-16-4-3-9-20-16/h3-4,9,13-15,17-18H,5-8,10-12H2,1-2H3
InChIKeyMLWNUUBNZNDHOK-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.74
Rot. Bonds8

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

N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80996454) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID80996454
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H28N2S/c1-13(2)10-18-11-14-5-8-17(14)19(15-6-7-15)12-16-4-3-9-20-16/h3-4,9,13-15,17-18H,5-8,10-12H2,1-2H3
InChIKeyMLWNUUBNZNDHOK-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 61449195
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 80996454) is N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CC(C)CNCC1CCC1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is MLWNUUBNZNDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13(2)10-18-11-14-5-8-17(14)19(15-6-7-15)12-16-4-3-9-20-16/h3-4,9,13-15,17-18H,5-8,10-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80996454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).