1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine

C17H35N3 — CID 99627103

IUPAC1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC[C@@H]1CC[C@@H](NCCN2CCC(N(C)C)CC2)C[C@@H]1C
InChIInChI=1S/C17H35N3/c1-14-5-6-16(13-15(14)2)18-9-12-20-10-7-17(8-11-20)19(3)4/h14-18H,5-13H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyAWJOMTODHIOPLK-OWCLPIDISA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine

1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 99627103) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID99627103
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC[C@@H]1CC[C@@H](NCCN2CCC(N(C)C)CC2)C[C@@H]1C
InChIInChI=1S/C17H35N3/c1-14-5-6-16(13-15(14)2)18-9-12-20-10-7-17(8-11-20)19(3)4/h14-18H,5-13H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyAWJOMTODHIOPLK-OWCLPIDISA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine (CID 99627103) is 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine is C[C@@H]1CC[C@@H](NCCN2CCC(N(C)C)CC2)C[C@@H]1C.
What is the InChIKey of 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AWJOMTODHIOPLK-OWCLPIDISA-N. The full InChI is InChI=1S/C17H35N3/c1-14-5-6-16(13-15(14)2)18-9-12-20-10-7-17(8-11-20)19(3)4/h14-18H,5-13H2,1-4H3/t14-,15+,16-/m1/s1.
What are the key properties of 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 99627103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).