1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C14H25BrN2S — CID 43432080

IUPAC1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csc(Br)c1)N(C)C
InChIInChI=1S/C14H25BrN2S/c1-5-12(6-2)13(17(3)4)9-16-8-11-7-14(15)18-10-11/h7,10,12-13,16H,5-6,8-9H2,1-4H3
InChIKeyCQXIYOIDWXMNQP-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.97
Rot. Bonds8

About 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43432080) has the molecular formula C14H25BrN2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43432080
Molecular FormulaC14H25BrN2S
Molecular Weight333.34 g/mol
Exact Mass332.09
IUPAC Name1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csc(Br)c1)N(C)C
InChIInChI=1S/C14H25BrN2S/c1-5-12(6-2)13(17(3)4)9-16-8-11-7-14(15)18-10-11/h7,10,12-13,16H,5-6,8-9H2,1-4H3
InChIKeyCQXIYOIDWXMNQP-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
CID 43210216
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
CID 115623310
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207
N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764037
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43434722
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43432080) is 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNCc1csc(Br)c1)N(C)C.
What is the InChIKey of 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is CQXIYOIDWXMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2S/c1-5-12(6-2)13(17(3)4)9-16-8-11-7-14(15)18-10-11/h7,10,12-13,16H,5-6,8-9H2,1-4H3.
What are the key properties of 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 333.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43432080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).