[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium

C20H37N2+ — CID 178080485

IUPAC[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium
SMILESCC=C1CCC(CCC(CC(=[NH2+])CC)/N=C/CCCC)CC1
InChIInChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/p+1/b17-5-,21-19?,22-15+
InChIKeyGJKSAZXXWONFRD-LLUPVEIASA-O
MW305.53 g/mol
LogP4.53
Rot. Bonds10

About [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium

[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium (PubChem CID 178080485) has the molecular formula C20H37N2+ and a molecular weight of 305.53 g/mol. Its IUPAC name is [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium.

Molecular Properties

Compound Name[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium
PubChem CID178080485
Molecular FormulaC20H37N2+
Molecular Weight305.53 g/mol
Exact Mass305.30
IUPAC Name[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium
SMILESCC=C1CCC(CCC(CC(=[NH2+])CC)/N=C/CCCC)CC1
InChIInChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/p+1/b17-5-,21-19?,22-15+
InChIKeyGJKSAZXXWONFRD-LLUPVEIASA-O
XLogP4.53
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
CID 162565601
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
3,4,4a,5,8,9a-Hexahydrocyclohepta[b]pyridin-9-imine
CID 90935757
N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
CID 90947762
5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
CID 91069167
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
CID 91307077
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
Butylidene-[5-(3,4-dimethylhept-1-en-2-yl)-4-ethyl-2-methylcyclohex-3-en-1-yl]-methylazanium
CID 123398825
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
CID 123653923
10-Ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene
CID 123727677

Frequently Asked Questions

What is the IUPAC name of [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium?
The IUPAC name of [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium (CID 178080485) is [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium.
What is the SMILES notation for [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium?
The canonical SMILES for [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium is CC=C1CCC(CCC(CC(=[NH2+])CC)/N=C/CCCC)CC1.
What is the InChIKey of [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium?
The InChIKey is GJKSAZXXWONFRD-LLUPVEIASA-O. The full InChI is InChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/p+1/b17-5-,21-19?,22-15+.
What are the key properties of [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium?
[7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium has a molecular weight of 305.53 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium is sourced from PubChem (CID 178080485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).