1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

C16H28N2S — CID 103562740

IUPAC1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)C1CC(CN)(N(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C16H28N2S/c1-12(2)14-8-16(9-14,11-17)18(13(3)4)10-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3
InChIKeyKFGVBPGFLZMNIE-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.72
Rot. Bonds6

About 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine

1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 103562740) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID103562740
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC(C)C1CC(CN)(N(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C16H28N2S/c1-12(2)14-8-16(9-14,11-17)18(13(3)4)10-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3
InChIKeyKFGVBPGFLZMNIE-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
3-(aminomethyl)-N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 79950337
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 61436948
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 103562740) is 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CC(C)C1CC(CN)(N(Cc2cccs2)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is KFGVBPGFLZMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)14-8-16(9-14,11-17)18(13(3)4)10-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 103562740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).