1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

C14H25ClN2OS — CID 81058258

IUPAC1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccc(Cl)s1)N(C)CCOC(C)C
InChIInChI=1S/C14H25ClN2OS/c1-5-11(16)14(12-6-7-13(15)19-12)17(4)8-9-18-10(2)3/h6-7,10-11,14H,5,8-9,16H2,1-4H3
InChIKeyIIKHEJQDPBCWEU-UHFFFAOYSA-N
MW304.89 g/mol
LogP3.54
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (PubChem CID 81058258) has the molecular formula C14H25ClN2OS and a molecular weight of 304.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
PubChem CID81058258
Molecular FormulaC14H25ClN2OS
Molecular Weight304.89 g/mol
Exact Mass304.14
IUPAC Name1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccc(Cl)s1)N(C)CCOC(C)C
InChIInChI=1S/C14H25ClN2OS/c1-5-11(16)14(12-6-7-13(15)19-12)17(4)8-9-18-10(2)3/h6-7,10-11,14H,5,8-9,16H2,1-4H3
InChIKeyIIKHEJQDPBCWEU-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine with MolForge

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Related Compounds

1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
1-(5-chlorothiophen-2-yl)-1-N-(cyclohexylmethyl)-1-N-methylbutane-1,2-diamine
CID 63406517
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)-1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methylbutane-1,2-diamine
CID 79303566
1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
CID 63694426
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285419
1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine
CID 55247309
3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
CID 81056050
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
CID 116913224
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (CID 81058258) is 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is CCC(N)C(c1ccc(Cl)s1)N(C)CCOC(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The InChIKey is IIKHEJQDPBCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2OS/c1-5-11(16)14(12-6-7-13(15)19-12)17(4)8-9-18-10(2)3/h6-7,10-11,14H,5,8-9,16H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine has a molecular weight of 304.89 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is sourced from PubChem (CID 81058258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).