N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide

C17H30N2O — CID 145300627

IUPACN-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide
SMILESC/C=C\C=C(/C)C(N)CNC(=O)C1CC(C)CCC1C
InChIInChI=1S/C17H30N2O/c1-5-6-7-14(4)16(18)11-19-17(20)15-10-12(2)8-9-13(15)3/h5-7,12-13,15-16H,8-11,18H2,1-4H3,(H,19,20)/b6-5-,14-7+
InChIKeyHGWQTKGWIAPTLC-NTBKVEBNSA-N
MW278.44 g/mol
LogP3.02
Rot. Bonds5

About N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide

N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide (PubChem CID 145300627) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide
PubChem CID145300627
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide
SMILESC/C=C\C=C(/C)C(N)CNC(=O)C1CC(C)CCC1C
InChIInChI=1S/C17H30N2O/c1-5-6-7-14(4)16(18)11-19-17(20)15-10-12(2)8-9-13(15)3/h5-7,12-13,15-16H,8-11,18H2,1-4H3,(H,19,20)/b6-5-,14-7+
InChIKeyHGWQTKGWIAPTLC-NTBKVEBNSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.02
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

(2S)-N-[(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 143527450
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
CID 93234202
N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 146259540
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126647509
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide (CID 145300627) is N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide is C/C=C\C=C(/C)C(N)CNC(=O)C1CC(C)CCC1C.
What is the InChIKey of N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is HGWQTKGWIAPTLC-NTBKVEBNSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-6-7-14(4)16(18)11-19-17(20)15-10-12(2)8-9-13(15)3/h5-7,12-13,15-16H,8-11,18H2,1-4H3,(H,19,20)/b6-5-,14-7+.
What are the key properties of N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide?
N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 145300627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).