(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine

C9H15N — CID 66989053

IUPAC(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCC[C@@]1(NC)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyUINZJGLSYGEXEV-SECBINFHSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine

(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 66989053) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID66989053
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCC[C@@]1(NC)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyUINZJGLSYGEXEV-SECBINFHSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine (CID 66989053) is (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine is CC[C@@]1(NC)C=CC=CC1.
What is the InChIKey of (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is UINZJGLSYGEXEV-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 66989053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).