1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine

C15H25NOS — CID 116722695

IUPAC1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)C(OC)C1CC1
InChIInChI=1S/C15H25NOS/c1-3-10-16-14(15(17-2)12-6-7-12)9-8-13-5-4-11-18-13/h4-5,11-12,14-16H,3,6-10H2,1-2H3
InChIKeyNGLPOQPEGSQZGL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.47
Rot. Bonds9

About 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine

1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 116722695) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
PubChem CID116722695
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)C(OC)C1CC1
InChIInChI=1S/C15H25NOS/c1-3-10-16-14(15(17-2)12-6-7-12)9-8-13-5-4-11-18-13/h4-5,11-12,14-16H,3,6-10H2,1-2H3
InChIKeyNGLPOQPEGSQZGL-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
(1-cyclopropyl-1-ethoxy-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105273036
1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
CID 116722742
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine (CID 116722695) is 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is NGLPOQPEGSQZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-10-16-14(15(17-2)12-6-7-12)9-8-13-5-4-11-18-13/h4-5,11-12,14-16H,3,6-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine?
1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 116722695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).