2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine

C22H38N2 — CID 175165055

IUPAC2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine
SMILESCC(C)=CCCC(C)=CCC(CN)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H38N2/c1-15(2)5-4-6-16(3)7-8-21(14-23)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-22,24H,4,6,8-14,23H2,1-3H3
InChIKeyGKPBGMVYVFDDKJ-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.81
Rot. Bonds8

About 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine

2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine (PubChem CID 175165055) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine
PubChem CID175165055
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine
SMILESCC(C)=CCCC(C)=CCC(CN)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H38N2/c1-15(2)5-4-6-16(3)7-8-21(14-23)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-22,24H,4,6,8-14,23H2,1-3H3
InChIKeyGKPBGMVYVFDDKJ-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
CID 102358163
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide
CID 90676160
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
CID 90116637
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
CID 123302484
(4E,8E,12E)-1-(1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 71735596
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(5E)-6,10-dimethylundeca-5,9-dien-3-amine
CID 170888547
(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
CID 124676145
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine?
The IUPAC name of 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine (CID 175165055) is 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine.
What is the SMILES notation for 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine?
The canonical SMILES for 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine is CC(C)=CCCC(C)=CCC(CN)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine?
The InChIKey is GKPBGMVYVFDDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2/c1-15(2)5-4-6-16(3)7-8-21(14-23)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-22,24H,4,6,8-14,23H2,1-3H3.
What are the key properties of 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine?
2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine has a molecular weight of 330.56 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine is sourced from PubChem (CID 175165055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).