N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine

C16H25N — CID 146322771

IUPACN-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine
SMILESC=CC(=C)N(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N/c1-4-12(3)17(5-2)16-9-13-6-14(10-16)8-15(7-13)11-16/h4,13-15H,1,3,5-11H2,2H3
InChIKeySKHDBDITANRVEO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.98
Rot. Bonds4

About N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine

N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine (PubChem CID 146322771) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine
PubChem CID146322771
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine
SMILESC=CC(=C)N(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N/c1-4-12(3)17(5-2)16-9-13-6-14(10-16)8-15(7-13)11-16/h4,13-15H,1,3,5-11H2,2H3
InChIKeySKHDBDITANRVEO-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide
CID 23534003
1-(1-adamantyl)-1-propylthiourea
CID 87366146
2-(1-adamantyl)-1,1-diethylhydrazine
CID 57132734
1-prop-2-enyladamantane
CID 10954060
N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
CID 2834337
N-(1-adamantyl)-N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 4795702
2-methyl-2-propyladamantan-1-ol;prop-2-enoic acid
CID 175218552
N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
CID 82104197
1-(1-adamantyl)-2,2-dimethylbutan-1-one
CID 123820208
N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
CID 2836011
6-[1-adamantyl(carbamoyl)amino]-2-fluorohexanoic acid
CID 87610427
(E)-1-(1-adamantyl)-3-(diethylamino)prop-2-en-1-one
CID 11436932

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine (CID 146322771) is N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine is C=CC(=C)N(CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine?
The InChIKey is SKHDBDITANRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-12(3)17(5-2)16-9-13-6-14(10-16)8-15(7-13)11-16/h4,13-15H,1,3,5-11H2,2H3.
What are the key properties of N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine?
N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine is sourced from PubChem (CID 146322771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).