N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine

C18H34N2S — CID 80720308

IUPACN-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C18H34N2S/c1-6-8-10-20(11-9-7-2)14-17-12-18(21-16(17)5)13-19-15(3)4/h12,15,19H,6-11,13-14H2,1-5H3
InChIKeyLQPKBBLXRLRAGC-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.96
Rot. Bonds11

About N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine

N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine (PubChem CID 80720308) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
PubChem CID80720308
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC NameN-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C18H34N2S/c1-6-8-10-20(11-9-7-2)14-17-12-18(21-16(17)5)13-19-15(3)4/h12,15,19H,6-11,13-14H2,1-5H3
InChIKeyLQPKBBLXRLRAGC-UHFFFAOYSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
CID 80728012
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
CID 80728158
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727929
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80721333
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 80728083
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
CID 80728295
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727183

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine (CID 80720308) is N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine is CCCCN(CCCC)Cc1cc(CNC(C)C)sc1C.
What is the InChIKey of N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine?
The InChIKey is LQPKBBLXRLRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-6-8-10-20(11-9-7-2)14-17-12-18(21-16(17)5)13-19-15(3)4/h12,15,19H,6-11,13-14H2,1-5H3.
What are the key properties of N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine?
N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine has a molecular weight of 310.55 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 80720308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).