[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine

C9H15N — CID 139999917

IUPAC[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCC[C@]1(CN)C=CC=CC1
InChIInChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h3-6H,2,7-8,10H2,1H3/t9-/m0/s1
InChIKeyISHUFSZPMATKRN-VIFPVBQESA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds2

About [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine

[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 139999917) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID139999917
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCC[C@]1(CN)C=CC=CC1
InChIInChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h3-6H,2,7-8,10H2,1H3/t9-/m0/s1
InChIKeyISHUFSZPMATKRN-VIFPVBQESA-N
XLogP1.86
TPSA26.02 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-ethylcyclohexa-2,4-dien-1-amine
CID 44624339
1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene
CID 150985591
5-ethyl-5-iodocyclohexa-1,3-diene
CID 70550002
5,5-bis(prop-2-enyl)cyclohexa-1,3-diene
CID 174405622
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
CID 141230573
(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 66989053
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
acetic acid;1-ethylcyclohexa-2,4-dien-1-amine
CID 53446414
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
[(1R)-1-ethylcyclohexa-2,4-dien-1-yl] methanesulfonate
CID 175581803
(1-ethylcyclohexa-2,4-dien-1-yl) acetate
CID 70149319
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine (CID 139999917) is [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine is CC[C@]1(CN)C=CC=CC1.
What is the InChIKey of [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is ISHUFSZPMATKRN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h3-6H,2,7-8,10H2,1H3/t9-/m0/s1.
What are the key properties of [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine?
[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 139999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).