cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

C13H21NS — CID 146167496

IUPACcis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESCCCC[C@@H]1C[C@H]1N(C)Cc1cccs1
InChIInChI=1S/C13H21NS/c1-3-4-6-11-9-13(11)14(2)10-12-7-5-8-15-12/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyKARCMQZNNRPQNB-DGCLKSJQSA-N
MW223.38 g/mol
LogP3.76
Rot. Bonds6

About cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (PubChem CID 146167496) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
PubChem CID146167496
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Namecis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESCCCC[C@@H]1C[C@H]1N(C)Cc1cccs1
InChIInChI=1S/C13H21NS/c1-3-4-6-11-9-13(11)14(2)10-12-7-5-8-15-12/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyKARCMQZNNRPQNB-DGCLKSJQSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (CID 146167496) is cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is CCCC[C@@H]1C[C@H]1N(C)Cc1cccs1.
What is the InChIKey of cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is KARCMQZNNRPQNB-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-4-6-11-9-13(11)14(2)10-12-7-5-8-15-12/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-butyl-N-methyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 146167496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).