N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine

C17H32N2S — CID 80728158

IUPACN-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
SMILESCCCCN(Cc1cc(CNCC)sc1C)C(C)CC
InChIInChI=1S/C17H32N2S/c1-6-9-10-19(14(4)7-2)13-16-11-17(12-18-8-3)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3
InChIKeyCSWGMPJMYCRBGP-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.57
Rot. Bonds10

About N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine

N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine (PubChem CID 80728158) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
PubChem CID80728158
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
SMILESCCCCN(Cc1cc(CNCC)sc1C)C(C)CC
InChIInChI=1S/C17H32N2S/c1-6-9-10-19(14(4)7-2)13-16-11-17(12-18-8-3)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3
InChIKeyCSWGMPJMYCRBGP-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 80728083
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
CID 80720308
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
CID 80728295
N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 82942281
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
CID 80728012
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine (CID 80728158) is N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine is CCCCN(Cc1cc(CNCC)sc1C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine?
The InChIKey is CSWGMPJMYCRBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-6-9-10-19(14(4)7-2)13-16-11-17(12-18-8-3)20-15(16)5/h11,14,18H,6-10,12-13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine?
N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine has a molecular weight of 296.52 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 80728158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).