N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine

C19H32N2 — CID 126514726

IUPACN-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESC=C(/C=C(/C(=C)C)C(C)(C)C)CNC1=C(C)CN(C)CC1
InChIInChI=1S/C19H32N2/c1-14(2)17(19(5,6)7)11-15(3)12-20-18-9-10-21(8)13-16(18)4/h11,20H,1,3,9-10,12-13H2,2,4-8H3/b17-11-
InChIKeyQRUSTNHOLMOMMT-BOPFTXTBSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds5

About N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine

N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 126514726) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID126514726
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESC=C(/C=C(/C(=C)C)C(C)(C)C)CNC1=C(C)CN(C)CC1
InChIInChI=1S/C19H32N2/c1-14(2)17(19(5,6)7)11-15(3)12-20-18-9-10-21(8)13-16(18)4/h11,20H,1,3,9-10,12-13H2,2,4-8H3/b17-11-
InChIKeyQRUSTNHOLMOMMT-BOPFTXTBSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine (CID 126514726) is N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine is C=C(/C=C(/C(=C)C)C(C)(C)C)CNC1=C(C)CN(C)CC1.
What is the InChIKey of N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is QRUSTNHOLMOMMT-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)17(19(5,6)7)11-15(3)12-20-18-9-10-21(8)13-16(18)4/h11,20H,1,3,9-10,12-13H2,2,4-8H3/b17-11-.
What are the key properties of N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-tert-butyl-5-methyl-2-methylidenehexa-3,5-dienyl]-1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 126514726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).