trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine

C10H20N2 — CID 59871648

IUPACtrans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine
SMILESCN1CC[C@H]([C@@H]2C[C@@H]2N(C)C)C1
InChIInChI=1S/C10H20N2/c1-11(2)10-6-9(10)8-4-5-12(3)7-8/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyLRLRJTUJRPIRJW-GUBZILKMSA-N
MW168.28 g/mol
LogP0.89
Rot. Bonds2

About trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine

trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine (PubChem CID 59871648) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine
PubChem CID59871648
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nametrans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine
SMILESCN1CC[C@H]([C@@H]2C[C@@H]2N(C)C)C1
InChIInChI=1S/C10H20N2/c1-11(2)10-6-9(10)8-4-5-12(3)7-8/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyLRLRJTUJRPIRJW-GUBZILKMSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
CID 102523493
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
(6R,9R)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70407816
(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70408550
(4aS,6R,8aR)-6-bromo-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 7164445
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
(4aS,6R)-6-bromo-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;hydrobromide
CID 2780448
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076
(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 142824086
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
4-fluoro-1-methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 138569410

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine (CID 59871648) is trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine is CN1CC[C@H]([C@@H]2C[C@@H]2N(C)C)C1.
What is the InChIKey of trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine?
The InChIKey is LRLRJTUJRPIRJW-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20N2/c1-11(2)10-6-9(10)8-4-5-12(3)7-8/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine?
trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 59871648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).