2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide

C15H26N2O — CID 43792150

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCC1CC2C=CC1C2
InChIInChI=1S/C15H26N2O/c1-10(2)6-14(15(18)16-3)17-9-13-8-11-4-5-12(13)7-11/h4-5,10-14,17H,6-9H2,1-3H3,(H,16,18)
InChIKeyNBDQIXCNUDNORA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide (PubChem CID 43792150) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide
PubChem CID43792150
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCC1CC2C=CC1C2
InChIInChI=1S/C15H26N2O/c1-10(2)6-14(15(18)16-3)17-9-13-8-11-4-5-12(13)7-11/h4-5,10-14,17H,6-9H2,1-3H3,(H,16,18)
InChIKeyNBDQIXCNUDNORA-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.95
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

N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60965883
N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 62268447
2-[2-Bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]acetamide
CID 75370706
N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275566
N-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275568
(1r,4r)-N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 132219842
(1r,4r)-N-((1r,4R)-4-aminocyclohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 132219856
2-(Diethylamino)-N-(2-norbornen-5-yl)acetamide hydrochloride
CID 134821643
2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 428693
N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56824683
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propanamide
CID 14863869
N-butylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 20649995

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide (CID 43792150) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide?
The InChIKey is NBDQIXCNUDNORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)6-14(15(18)16-3)17-9-13-8-11-4-5-12(13)7-11/h4-5,10-14,17H,6-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide has a molecular weight of 250.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,4-dimethylpentanamide is sourced from PubChem (CID 43792150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).