(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine

C15H30N2O — CID 170926263

IUPAC(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESCC(C)OCC1(CN2CCC[C@H](N(C)C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)18-12-15(7-8-15)11-17-9-5-6-14(10-17)16(3)4/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyGIIKAGIUPWAKLN-AWEZNQCLSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds6

About (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine

(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine (PubChem CID 170926263) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
PubChem CID170926263
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESCC(C)OCC1(CN2CCC[C@H](N(C)C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)18-12-15(7-8-15)11-17-9-5-6-14(10-17)16(3)4/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyGIIKAGIUPWAKLN-AWEZNQCLSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
CID 115449099
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azepane
CID 169289987
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
1-[[3-(dimethylamino)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63950406
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine (CID 170926263) is (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine is CC(C)OCC1(CN2CCC[C@H](N(C)C)C2)CC1.
What is the InChIKey of (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The InChIKey is GIIKAGIUPWAKLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)18-12-15(7-8-15)11-17-9-5-6-14(10-17)16(3)4/h13-14H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine is sourced from PubChem (CID 170926263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).