N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine

C16H28N2 — CID 91464468

IUPACN,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine
SMILESCCCC(C)=C(CCC)C1=CC(C)C(NC)N=C1
InChIInChI=1S/C16H28N2/c1-6-8-12(3)15(9-7-2)14-10-13(4)16(17-5)18-11-14/h10-11,13,16-17H,6-9H2,1-5H3
InChIKeyFWULEFZJLVUKGG-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.10
Rot. Bonds6

About N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine

N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine (PubChem CID 91464468) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine
PubChem CID91464468
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine
SMILESCCCC(C)=C(CCC)C1=CC(C)C(NC)N=C1
InChIInChI=1S/C16H28N2/c1-6-8-12(3)15(9-7-2)14-10-13(4)16(17-5)18-11-14/h10-11,13,16-17H,6-9H2,1-5H3
InChIKeyFWULEFZJLVUKGG-UHFFFAOYSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine
CID 142970846
N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
CID 145204354
(E)-N-[2-(5-ethenylcyclohexa-1,5-dien-1-yl)ethyl]-2-methyl-1-(methylideneamino)-3-methyliminoprop-1-en-1-amine
CID 172607366
N-[[[(2Z,3E,8Z)-2-prop-2-enylideneundeca-3,5,6,8-tetraenylidene]amino]methyl]pentan-1-amine
CID 173809197
(Z)-4-methyl-N-[(Z)-1-[[(Z)-2-methylbut-2-enylidene]amino]prop-1-enyl]hept-3-en-1-amine
CID 173816148
(4Z,5E)-5-ethylidene-4-[(Z)-3-methanimidoyl-2-methylidenepent-3-enylidene]-N-methylpyridin-2-amine
CID 142583605
(4Z,5Z)-4-[(E,2E)-2-ethylidene-3-methylpent-3-enylidene]-N-methyl-5-propylidenepyridin-2-amine
CID 142583721
(4Z,5Z)-4-[(Z,2E)-2-ethylidene-3-(ethyliminomethyl)pent-3-enylidene]-N-methyl-5-propylidenepyridin-2-amine
CID 142583784
(4Z,5E)-5-ethylidene-N-methyl-4-[(Z)-3-(methyliminomethyl)pent-3-enylidene]pyridin-2-amine
CID 142583949

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine?
The IUPAC name of N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine (CID 91464468) is N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine is CCCC(C)=C(CCC)C1=CC(C)C(NC)N=C1.
What is the InChIKey of N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine?
The InChIKey is FWULEFZJLVUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-8-12(3)15(9-7-2)14-10-13(4)16(17-5)18-11-14/h10-11,13,16-17H,6-9H2,1-5H3.
What are the key properties of N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine?
N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine has a molecular weight of 248.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 91464468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).