(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine

C10H17N — CID 145004026

IUPAC(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine
SMILESCN/C=C\C1CC=C[C@@H](C)C1
InChIInChI=1S/C10H17N/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,6-7,9-11H,5,8H2,1-2H3/b7-6-/t9-,10?/m1/s1
InChIKeyMITATVZQBOONEO-LCHWLVHTSA-N
MW151.25 g/mol
LogP2.32
Rot. Bonds2

About (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine

(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine (PubChem CID 145004026) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine
PubChem CID145004026
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine
SMILESCN/C=C\C1CC=C[C@@H](C)C1
InChIInChI=1S/C10H17N/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,6-7,9-11H,5,8H2,1-2H3/b7-6-/t9-,10?/m1/s1
InChIKeyMITATVZQBOONEO-LCHWLVHTSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-3,5-dimethylcyclohexene
CID 142981274
(1S)-5-methylcyclohex-3-en-1-amine
CID 175324553
3-methylcyclobutene;sulfane
CID 90110313
1-[(1S,5R)-5-methylcyclohex-3-en-1-yl]ethanone
CID 11040773
N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine
CID 143687545
5-ethyl-3,6,7-trimethylcyclooctene
CID 123325813
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
(1Z,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352590
(1E,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352569
1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
CID 123861513
(3R,7S)-7-methyl-2,3,4,7-tetrahydro-1H-azepine-3-carbaldehyde
CID 156840866
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine?
The IUPAC name of (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine (CID 145004026) is (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine.
What is the SMILES notation for (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine?
The canonical SMILES for (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine is CN/C=C\C1CC=C[C@@H](C)C1.
What is the InChIKey of (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine?
The InChIKey is MITATVZQBOONEO-LCHWLVHTSA-N. The full InChI is InChI=1S/C10H17N/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,6-7,9-11H,5,8H2,1-2H3/b7-6-/t9-,10?/m1/s1.
What are the key properties of (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine?
(Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine has a molecular weight of 151.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[(5S)-5-methylcyclohex-3-en-1-yl]ethenamine is sourced from PubChem (CID 145004026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).