N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine

C13H18N2 — CID 163939008

IUPACN-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine
SMILESC=C/C=C(/Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-8-11(13(2,3)4)15-12-9-6-7-10-14-12/h5-10H,1H2,2-4H3,(H,14,15)/b11-8+
InChIKeyRPINXQNATORHJX-DHZHZOJOSA-N
MW202.30 g/mol
LogP3.61
Rot. Bonds3

About N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine

N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine (PubChem CID 163939008) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine
PubChem CID163939008
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine
SMILESC=C/C=C(/Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-8-11(13(2,3)4)15-12-9-6-7-10-14-12/h5-10H,1H2,2-4H3,(H,14,15)/b11-8+
InChIKeyRPINXQNATORHJX-DHZHZOJOSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
CID 146637347
N-methylpyridin-2-amine;prop-1-ene
CID 90835690
methanol;N-methylpyridin-2-amine
CID 174971654
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 115174756
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine (CID 163939008) is N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine is C=C/C=C(/Nc1ccccn1)C(C)(C)C.
What is the InChIKey of N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine?
The InChIKey is RPINXQNATORHJX-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-8-11(13(2,3)4)15-12-9-6-7-10-14-12/h5-10H,1H2,2-4H3,(H,14,15)/b11-8+.
What are the key properties of N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine?
N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine has a molecular weight of 202.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine is sourced from PubChem (CID 163939008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).