1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine

C14H24N2S — CID 63955105

IUPAC1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(CC)CC1CC1
InChIInChI=1S/C14H24N2S/c1-3-12(15)14(13-6-5-9-17-13)16(4-2)10-11-7-8-11/h5-6,9,11-12,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyWJGZJIBHXBTJLC-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.26
Rot. Bonds7

About 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine (PubChem CID 63955105) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
PubChem CID63955105
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(CC)CC1CC1
InChIInChI=1S/C14H24N2S/c1-3-12(15)14(13-6-5-9-17-13)16(4-2)10-11-7-8-11/h5-6,9,11-12,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyWJGZJIBHXBTJLC-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
CID 63954907
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
3-[(2-amino-1-thiophen-2-ylbutyl)-cyclopropylamino]propanenitrile
CID 55021870
2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79715760
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine (CID 63955105) is 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine is CCC(N)C(c1cccs1)N(CC)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine?
The InChIKey is WJGZJIBHXBTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-12(15)14(13-6-5-9-17-13)16(4-2)10-11-7-8-11/h5-6,9,11-12,14H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine is sourced from PubChem (CID 63955105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).