[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine

C15H18N2 — CID 178195092

IUPAC[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C15H18N2/c1-15(2)12(9-16)14(15)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12,14H,9,16H2,1-2H3/t12-,14-/m1/s1
InChIKeyYOJVSIAEHHHNNG-TZMCWYRMSA-N
MW226.32 g/mol
LogP2.93
Rot. Bonds2

About [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine

[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine (PubChem CID 178195092) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine
PubChem CID178195092
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C15H18N2/c1-15(2)12(9-16)14(15)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12,14H,9,16H2,1-2H3/t12-,14-/m1/s1
InChIKeyYOJVSIAEHHHNNG-TZMCWYRMSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3-quinolin-4-ylcyclopropyl)methanamine
CID 114229374
1-(2,2-dimethyl-3-quinolin-4-ylcyclopropyl)-N-methylmethanamine
CID 114229416
[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197172
4-cyclopentylquinoline
CID 57273226
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
4-quinolin-4-ylbutan-1-amine
CID 10559963
5-quinolin-4-ylpentan-1-amine
CID 71089574
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
4-(4-methylidenecyclobut-2-en-1-yl)quinoline
CID 151936632
[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine
CID 178197607
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine (CID 178195092) is [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1ccnc2ccccc12.
What is the InChIKey of [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine?
The InChIKey is YOJVSIAEHHHNNG-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N2/c1-15(2)12(9-16)14(15)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12,14H,9,16H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine?
[(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dimethyl-3-quinolin-4-ylcyclopropyl]methanamine is sourced from PubChem (CID 178195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).