N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine

C18H30N2 — CID 123193819

IUPACN-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine
SMILESCC=C(C=CCCN)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2/c1-2-14(5-3-4-6-19)13-20-18-10-15-7-16(11-18)9-17(8-15)12-18/h2-3,5,15-17,20H,4,6-13,19H2,1H3
InChIKeyRUNBFAQZDKKWKZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.40
Rot. Bonds6

About N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine

N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine (PubChem CID 123193819) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine.

Molecular Properties

Compound NameN-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine
PubChem CID123193819
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine
SMILESCC=C(C=CCCN)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2/c1-2-14(5-3-4-6-19)13-20-18-10-15-7-16(11-18)9-17(8-15)12-18/h2-3,5,15-17,20H,4,6-13,19H2,1H3
InChIKeyRUNBFAQZDKKWKZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloroprop-2-enyl)adamantan-1-amine
CID 79168192
N'-(1-adamantyl)propane-1,3-diamine
CID 5032001
CID 140659618
CID 140659618
N-(2-methylidenebutyl)adamantan-1-amine
CID 66046867
1-(1-adamantyl)-2-(1-adamantylamino)ethanone
CID 3292373
N-(1-adamantyl)but-2-enamide
CID 78906637
N-[(2E)-octa-2,7-dienyl]adamantan-1-amine
CID 78323291
2-(1-adamantylamino)-N-butylacetamide
CID 60671078
(1-bicyclo[1.1.1]pentanylamino)methanol
CID 149165180
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
CID 123302484
2-(1-adamantylamino)-N-(cyclopropylmethyl)acetamide
CID 28567439
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine?
The IUPAC name of N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine (CID 123193819) is N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine.
What is the SMILES notation for N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine?
The canonical SMILES for N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine is CC=C(C=CCCN)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine?
The InChIKey is RUNBFAQZDKKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-14(5-3-4-6-19)13-20-18-10-15-7-16(11-18)9-17(8-15)12-18/h2-3,5,15-17,20H,4,6-13,19H2,1H3.
What are the key properties of N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine?
N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-ethylidenehex-3-ene-1,6-diamine is sourced from PubChem (CID 123193819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).