[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride

C19H38ClN3 — CID 11727624

IUPAC[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride
SMILESCC(C)CCCC(C)CC/[NH+]=C(\N)NCCC1=CCCCC1.[Cl-]
InChIInChI=1S/C19H37N3.ClH/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18;/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22);1H
InChIKeyHXUXPINSGJUYDB-UHFFFAOYSA-N
MW343.99 g/mol
LogP-0.28
Rot. Bonds10

About [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride

[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride (PubChem CID 11727624) has the molecular formula C19H38ClN3 and a molecular weight of 343.99 g/mol. Its IUPAC name is [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride.

Molecular Properties

Compound Name[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride
PubChem CID11727624
Molecular FormulaC19H38ClN3
Molecular Weight343.99 g/mol
Exact Mass343.28
IUPAC Name[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride
SMILESCC(C)CCCC(C)CC/[NH+]=C(\N)NCCC1=CCCCC1.[Cl-]
InChIInChI=1S/C19H37N3.ClH/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18;/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22);1H
InChIKeyHXUXPINSGJUYDB-UHFFFAOYSA-N
XLogP-0.28
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.99
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2,6-dimethyl-5-methylideneoctyl)-N'-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]methanimidamide
CID 124112862
1-[2-[(4S,6R)-4-[2-[(N'-carbamimidoylcarbamimidoyl)-methylamino]ethyl]-6-methylcyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)-1-methylguanidine
CID 176533085
1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine
CID 177268244
2-[2-(Cyclohexen-1-yl)ethyl]-1-octan-2-ylguanidine
CID 10039280
[Amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloct-6-enyl)azanium chloride
CID 10947845
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
[Amino-(heptan-2-ylamino)methylidene]-[2-(cyclohexen-1-yl)ethyl]azanium chloride
CID 11033974
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine
CID 11727625
1-[2-(Cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
1-[2-(Cyclohexen-1-yl)ethyl]-2-propylguanidine
CID 62361345
1-[2-(Cyclohexen-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 62361565
5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 103277924

Frequently Asked Questions

What is the IUPAC name of [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride?
The IUPAC name of [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride (CID 11727624) is [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride.
What is the SMILES notation for [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride?
The canonical SMILES for [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride is CC(C)CCCC(C)CC/[NH+]=C(\N)NCCC1=CCCCC1.[Cl-].
What is the InChIKey of [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride?
The InChIKey is HXUXPINSGJUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3.ClH/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18;/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride?
[amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride has a molecular weight of 343.99 g/mol, XLogP of -0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(cyclohexen-1-yl)ethylamino]methylidene]-(3,7-dimethyloctyl)azanium chloride is sourced from PubChem (CID 11727624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).