N-[(2E)-octa-2,7-dienyl]adamantan-1-amine

C18H29N — CID 78323291

IUPACN-[(2E)-octa-2,7-dienyl]adamantan-1-amine
SMILESC=CCCC/C=C/CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-8-19-18-12-15-9-16(13-18)11-17(10-15)14-18/h2,6-7,15-17,19H,1,3-5,8-14H2/b7-6+
InChIKeyZVAOQYAFELHUMS-VOTSOKGWSA-N
MW259.44 g/mol
LogP4.46
Rot. Bonds7

About N-[(2E)-octa-2,7-dienyl]adamantan-1-amine

N-[(2E)-octa-2,7-dienyl]adamantan-1-amine (PubChem CID 78323291) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2E)-octa-2,7-dienyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2E)-octa-2,7-dienyl]adamantan-1-amine
PubChem CID78323291
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2E)-octa-2,7-dienyl]adamantan-1-amine
SMILESC=CCCC/C=C/CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-8-19-18-12-15-9-16(13-18)11-17(10-15)14-18/h2,6-7,15-17,19H,1,3-5,8-14H2/b7-6+
InChIKeyZVAOQYAFELHUMS-VOTSOKGWSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(hept-6-enoxymethyl)adamantane
CID 53248072
(2E)-N-tert-butylocta-2,7-dien-1-amine
CID 6002531
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
3,5-dimethyl-N-pent-4-enyladamantan-1-amine
CID 79999138
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
CID 123302484
CID 140659618
CID 140659618
N'-(1-adamantyl)propane-1,3-diamine
CID 5032001
N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine
CID 123193819
N-butan-2-ylocta-2,7-dien-1-amine
CID 4173691
(2E)-N-butan-2-ylocta-2,7-dien-1-amine
CID 6028080
N-(2,3-dichloroprop-2-enyl)adamantan-1-amine
CID 79168192

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-octa-2,7-dienyl]adamantan-1-amine?
The IUPAC name of N-[(2E)-octa-2,7-dienyl]adamantan-1-amine (CID 78323291) is N-[(2E)-octa-2,7-dienyl]adamantan-1-amine.
What is the SMILES notation for N-[(2E)-octa-2,7-dienyl]adamantan-1-amine?
The canonical SMILES for N-[(2E)-octa-2,7-dienyl]adamantan-1-amine is C=CCCC/C=C/CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2E)-octa-2,7-dienyl]adamantan-1-amine?
The InChIKey is ZVAOQYAFELHUMS-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-19-18-12-15-9-16(13-18)11-17(10-15)14-18/h2,6-7,15-17,19H,1,3-5,8-14H2/b7-6+.
What are the key properties of N-[(2E)-octa-2,7-dienyl]adamantan-1-amine?
N-[(2E)-octa-2,7-dienyl]adamantan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-octa-2,7-dienyl]adamantan-1-amine is sourced from PubChem (CID 78323291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).