cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine

C15H18N2 — CID 178199783

IUPACcis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine
SMILESCc1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc2n1
InChIInChI=1S/C15H18N2/c1-9-4-5-10-8-11(6-7-12(10)17-9)13-14(16)15(13,2)3/h4-8,13-14H,16H2,1-3H3/t13-,14-/m0/s1
InChIKeyIIAYASKLZYWIFY-KBPBESRZSA-N
MW226.32 g/mol
LogP2.99
Rot. Bonds1

About cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine

cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine (PubChem CID 178199783) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine
PubChem CID178199783
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine
SMILESCc1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc2n1
InChIInChI=1S/C15H18N2/c1-9-4-5-10-8-11(6-7-12(10)17-9)13-14(16)15(13,2)3/h4-8,13-14H,16H2,1-3H3/t13-,14-/m0/s1
InChIKeyIIAYASKLZYWIFY-KBPBESRZSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine (CID 178199783) is cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine is Cc1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc2n1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine?
The InChIKey is IIAYASKLZYWIFY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N2/c1-9-4-5-10-8-11(6-7-12(10)17-9)13-14(16)15(13,2)3/h4-8,13-14H,16H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine?
cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-(2-methylquinolin-6-yl)cyclopropan-1-amine is sourced from PubChem (CID 178199783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).