N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine

C30H49N — CID 123302484

IUPACN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H49N/c1-23(2)9-6-10-24(3)11-7-12-25(4)13-8-14-26(5)15-16-31-30-20-27-17-28(21-30)19-29(18-27)22-30/h9,11,13,15,27-29,31H,6-8,10,12,14,16-22H2,1-5H3
InChIKeyZDUFRBWBWMIAFU-UHFFFAOYSA-N
MW423.73 g/mol
LogP8.69
Rot. Bonds12

About N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine

N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine (PubChem CID 123302484) has the molecular formula C30H49N and a molecular weight of 423.73 g/mol. Its IUPAC name is N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
PubChem CID123302484
Molecular FormulaC30H49N
Molecular Weight423.73 g/mol
Exact Mass423.39
IUPAC NameN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H49N/c1-23(2)9-6-10-24(3)11-7-12-25(4)13-8-14-26(5)15-16-31-30-20-27-17-28(21-30)19-29(18-27)22-30/h9,11,13,15,27-29,31H,6-8,10,12,14,16-22H2,1-5H3
InChIKeyZDUFRBWBWMIAFU-UHFFFAOYSA-N
XLogP8.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 58.69
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

N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
CID 46203480
(4E,8E,12E)-1-(1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 71735596
3,7,11-trimethyldodeca-2,6,10-trienyl N-(1-adamantyl)carbamate
CID 78164768
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
(2R)-2-(1-adamantylamino)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 69435866
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
CID 151276822
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 54479150
(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
CID 102358163

Frequently Asked Questions

What is the IUPAC name of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine?
The IUPAC name of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine (CID 123302484) is N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine.
What is the SMILES notation for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine?
The canonical SMILES for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine?
The InChIKey is ZDUFRBWBWMIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N/c1-23(2)9-6-10-24(3)11-7-12-25(4)13-8-14-26(5)15-16-31-30-20-27-17-28(21-30)19-29(18-27)22-30/h9,11,13,15,27-29,31H,6-8,10,12,14,16-22H2,1-5H3.
What are the key properties of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine?
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine has a molecular weight of 423.73 g/mol, XLogP of 8.69, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine is sourced from PubChem (CID 123302484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).