N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C17H27NO — CID 4861761

IUPACN-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC3CCCCC3)CCC(C2)C1(C)C
InChIInChI=1S/C17H27NO/c1-12-16(2,3)13-9-10-17(12,11-13)15(19)18-14-7-5-4-6-8-14/h13-14H,1,4-11H2,2-3H3,(H,18,19)
InChIKeyWJBNVWWBQVGXEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds2

About N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4861761) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4861761
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC3CCCCC3)CCC(C2)C1(C)C
InChIInChI=1S/C17H27NO/c1-12-16(2,3)13-9-10-17(12,11-13)15(19)18-14-7-5-4-6-8-14/h13-14H,1,4-11H2,2-3H3,(H,18,19)
InChIKeyWJBNVWWBQVGXEV-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.82
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

(1S,4S,5R,9S,10R,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
CID 24866275
(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide
CID 134151556
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-1-methylcyclohexane-1-carboxamide
CID 2885013
N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-cyclohexylpropanamide
CID 4460800
(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 56746475
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide
CID 3516006
(1S,5R,9S,13S)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
CID 58330114
(1S,5R,9S)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
CID 59685202
(1S,5R,9S,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
CID 66638391
(1R,2S,5R)-5-methyl-N-(3-methylidenecyclohexyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 89397596
N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 122582450

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 4861761) is N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NC3CCCCC3)CCC(C2)C1(C)C.
What is the InChIKey of N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WJBNVWWBQVGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-16(2,3)13-9-10-17(12,11-13)15(19)18-14-7-5-4-6-8-14/h13-14H,1,4-11H2,2-3H3,(H,18,19).
What are the key properties of N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4861761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).