1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C13H22N2S — CID 79811729

IUPAC1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(C)(N)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-3-13(2,14)10-15(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,11H,3,6-7,9-10,14H2,1-2H3
InChIKeyMKRGDTBRTIZUDI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.84
Rot. Bonds6

About 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 79811729) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID79811729
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(C)(N)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-3-13(2,14)10-15(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,11H,3,6-7,9-10,14H2,1-2H3
InChIKeyMKRGDTBRTIZUDI-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 80551288
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 79811729) is 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CCC(C)(N)CN(Cc1cccs1)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is MKRGDTBRTIZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-13(2,14)10-15(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,11H,3,6-7,9-10,14H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 79811729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).