6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine

C17H31NS — CID 105137843

IUPAC6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
SMILESCCCNC(CCCc1cccs1)CC(C)CCC
InChIInChI=1S/C17H31NS/c1-4-8-15(3)14-16(18-12-5-2)9-6-10-17-11-7-13-19-17/h7,11,13,15-16,18H,4-6,8-10,12,14H2,1-3H3
InChIKeyIBPBGNVGNZSSMQ-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.27
Rot. Bonds11

About 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine

6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine (PubChem CID 105137843) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
PubChem CID105137843
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
SMILESCCCNC(CCCc1cccs1)CC(C)CCC
InChIInChI=1S/C17H31NS/c1-4-8-15(3)14-16(18-12-5-2)9-6-10-17-11-7-13-19-17/h7,11,13,15-16,18H,4-6,8-10,12,14H2,1-3H3
InChIKeyIBPBGNVGNZSSMQ-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine?
The IUPAC name of 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine (CID 105137843) is 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine?
The canonical SMILES for 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine is CCCNC(CCCc1cccs1)CC(C)CCC.
What is the InChIKey of 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine?
The InChIKey is IBPBGNVGNZSSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-4-8-15(3)14-16(18-12-5-2)9-6-10-17-11-7-13-19-17/h7,11,13,15-16,18H,4-6,8-10,12,14H2,1-3H3.
What are the key properties of 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine?
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine has a molecular weight of 281.51 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine is sourced from PubChem (CID 105137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).