N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine

C16H27N3 — CID 145204354

IUPACN'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
SMILESC/C=C(\C=C/CCCC(C)NCN)C1=CCCN=C1
InChIInChI=1S/C16H27N3/c1-3-15(16-10-7-11-18-12-16)9-6-4-5-8-14(2)19-13-17/h3,6,9-10,12,14,19H,4-5,7-8,11,13,17H2,1-2H3/b9-6-,15-3+
InChIKeyLZARETGLCIHCQN-LEKSLGJTSA-N
MW261.41 g/mol
LogP2.95
Rot. Bonds8

About N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine

N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine (PubChem CID 145204354) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine.

Molecular Properties

Compound NameN'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
PubChem CID145204354
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
SMILESC/C=C(\C=C/CCCC(C)NCN)C1=CCCN=C1
InChIInChI=1S/C16H27N3/c1-3-15(16-10-7-11-18-12-16)9-6-4-5-8-14(2)19-13-17/h3,6,9-10,12,14,19H,4-5,7-8,11,13,17H2,1-2H3/b9-6-,15-3+
InChIKeyLZARETGLCIHCQN-LEKSLGJTSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
CID 70417806
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N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
3-[(Z)-1-iminobut-2-en-2-yl]-N-methyl-3,4,7,8-tetrahydroisoquinolin-8-amine
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5-[(3E,7Z,9Z)-3-methyl-6-methylideneundeca-3,7,9-trienyl]-6-(pentan-2-ylamino)-1H-pyrimidine-2-thione
CID 134569149
(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
CID 138528196
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
CID 143591504
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
CID 143591505
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433
N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine
CID 145287984
(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
CID 153390167
2-methyl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-amine
CID 163538989

Frequently Asked Questions

What is the IUPAC name of N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine?
The IUPAC name of N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine (CID 145204354) is N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine.
What is the SMILES notation for N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine?
The canonical SMILES for N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine is C/C=C(\C=C/CCCC(C)NCN)C1=CCCN=C1.
What is the InChIKey of N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine?
The InChIKey is LZARETGLCIHCQN-LEKSLGJTSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15(16-10-7-11-18-12-16)9-6-4-5-8-14(2)19-13-17/h3,6,9-10,12,14,19H,4-5,7-8,11,13,17H2,1-2H3/b9-6-,15-3+.
What are the key properties of N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine?
N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine has a molecular weight of 261.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine is sourced from PubChem (CID 145204354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).