cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine

C9H19N — CID 129149436

IUPACcis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
SMILESCC[C@H]1CCC[C@@H](NC)C1
InChIInChI=1S/C9H19N/c1-3-8-5-4-6-9(7-8)10-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyDQOAFOFILLTJBX-DTWKUNHWSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds2

About cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine

cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine (PubChem CID 129149436) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
PubChem CID129149436
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Namecis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
SMILESCC[C@H]1CCC[C@@H](NC)C1
InChIInChI=1S/C9H19N/c1-3-8-5-4-6-9(7-8)10-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyDQOAFOFILLTJBX-DTWKUNHWSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine (CID 129149436) is cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine is CC[C@H]1CCC[C@@H](NC)C1.
What is the InChIKey of cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is DQOAFOFILLTJBX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19N/c1-3-8-5-4-6-9(7-8)10-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine?
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 129149436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).