3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C14H24N2S — CID 54983076

IUPAC3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC(c1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-11(8-9-16(2)3)15-14(12-6-7-12)13-5-4-10-17-13/h4-5,10-12,14-15H,6-9H2,1-3H3
InChIKeyMUSMKYSRNZZLGY-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.13
Rot. Bonds7

About 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 54983076) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID54983076
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC(c1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-11(8-9-16(2)3)15-14(12-6-7-12)13-5-4-10-17-13/h4-5,10-12,14-15H,6-9H2,1-3H3
InChIKeyMUSMKYSRNZZLGY-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 63435762
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
CID 113279191
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544

Frequently Asked Questions

What is the IUPAC name of 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 54983076) is 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NC(c1cccs1)C1CC1.
What is the InChIKey of 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MUSMKYSRNZZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(8-9-16(2)3)15-14(12-6-7-12)13-5-4-10-17-13/h4-5,10-12,14-15H,6-9H2,1-3H3.
What are the key properties of 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 54983076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).