trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine

C14H29N3 — CID 66628920

IUPACtrans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-4-16(3)13-6-5-7-14(12-13)17-10-8-15(2)9-11-17/h13-14H,4-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyHCUMYIFAQDAMIU-ZIAGYGMSSA-N
MW239.41 g/mol
LogP1.50
Rot. Bonds3

About trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine

trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 66628920) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID66628920
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nametrans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-4-16(3)13-6-5-7-14(12-13)17-10-8-15(2)9-11-17/h13-14H,4-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyHCUMYIFAQDAMIU-ZIAGYGMSSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine (CID 66628920) is trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine is CCN(C)[C@@H]1CCC[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is HCUMYIFAQDAMIU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16(3)13-6-5-7-14(12-13)17-10-8-15(2)9-11-17/h13-14H,4-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 66628920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).