N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine

C14H28N2 — CID 104968404

IUPACN-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H28N2/c1-11(9-15-14-7-8-14)10-16-12(2)5-4-6-13(16)3/h11-15H,4-10H2,1-3H3/t11?,12-,13+
InChIKeyXQVIFDFGSRHESH-YHWZYXNKSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine

N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine (PubChem CID 104968404) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
PubChem CID104968404
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H28N2/c1-11(9-15-14-7-8-14)10-16-12(2)5-4-6-13(16)3/h11-15H,4-10H2,1-3H3/t11?,12-,13+
InChIKeyXQVIFDFGSRHESH-YHWZYXNKSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 104967675
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
N-[3-(2-ethylpyrrolidin-1-yl)-2-methylpropyl]cyclopropanamine
CID 62438600
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
CID 70416000
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946
N-(2-methylbutyl)cyclopentanamine
CID 43200714

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine (CID 104968404) is N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine?
The InChIKey is XQVIFDFGSRHESH-YHWZYXNKSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(9-15-14-7-8-14)10-16-12(2)5-4-6-13(16)3/h11-15H,4-10H2,1-3H3/t11?,12-,13+.
What are the key properties of N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine?
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 104968404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).