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

C16H26N2S — CID 80996992

IUPACN-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)NCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H26N2S/c1-12(2)17-10-13-5-8-16(13)18(14-6-7-14)11-15-4-3-9-19-15/h3-4,9,12-14,16-17H,5-8,10-11H2,1-2H3
InChIKeyOOJJQDQCQVJYHZ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.49
Rot. Bonds7

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

N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80996992) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID80996992
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)NCC1CCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H26N2S/c1-12(2)17-10-13-5-8-16(13)18(14-6-7-14)11-15-4-3-9-19-15/h3-4,9,12-14,16-17H,5-8,10-11H2,1-2H3
InChIKeyOOJJQDQCQVJYHZ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
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-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62420415
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-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 80996992) is N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CC(C)NCC1CCC1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is OOJJQDQCQVJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)17-10-13-5-8-16(13)18(14-6-7-14)11-15-4-3-9-19-15/h3-4,9,12-14,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80996992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).