N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

C14H22N2S — CID 80996656

IUPACN-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H22N2S/c1-15-9-11-4-7-14(11)16(12-5-6-12)10-13-3-2-8-17-13/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3
InChIKeyPSFZAJNAOTZQID-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.71
Rot. Bonds6

About N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80996656) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID80996656
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H22N2S/c1-15-9-11-4-7-14(11)16(12-5-6-12)10-13-3-2-8-17-13/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3
InChIKeyPSFZAJNAOTZQID-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.71
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
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 61449195
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411164
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411859
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 80996656) is N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CNCC1CCC1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is PSFZAJNAOTZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15-9-11-4-7-14(11)16(12-5-6-12)10-13-3-2-8-17-13/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80996656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).