[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine

C11H20N2 — CID 174001512

IUPAC[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine
SMILESCC1=CCC[C@H](C)C1C(C)=NCN
InChIInChI=1S/C11H20N2/c1-8-5-4-6-9(2)11(8)10(3)13-7-12/h5,9,11H,4,6-7,12H2,1-3H3/t9-,11?/m0/s1
InChIKeyTWHPKGIQIYQTQG-FTNKSUMCSA-N
MW180.29 g/mol
LogP2.36
Rot. Bonds2

About [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine

[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine (PubChem CID 174001512) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine.

Molecular Properties

Compound Name[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine
PubChem CID174001512
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine
SMILESCC1=CCC[C@H](C)C1C(C)=NCN
InChIInChI=1S/C11H20N2/c1-8-5-4-6-9(2)11(8)10(3)13-7-12/h5,9,11H,4,6-7,12H2,1-3H3/t9-,11?/m0/s1
InChIKeyTWHPKGIQIYQTQG-FTNKSUMCSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine?
The IUPAC name of [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine (CID 174001512) is [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine.
What is the SMILES notation for [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine?
The canonical SMILES for [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine is CC1=CCC[C@H](C)C1C(C)=NCN.
What is the InChIKey of [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine?
The InChIKey is TWHPKGIQIYQTQG-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-5-4-6-9(2)11(8)10(3)13-7-12/h5,9,11H,4,6-7,12H2,1-3H3/t9-,11?/m0/s1.
What are the key properties of [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine?
[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine is sourced from PubChem (CID 174001512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).