4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine

C26H40N4 — CID 169258678

IUPAC4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine
SMILESC/C(=C(\C)c1cccc(C)n1)c1ccnc(N)c1.CC/C=C(\C)NCCCCCC
InChIInChI=1S/C15H17N3.C11H23N/c1-10-5-4-6-14(18-10)12(3)11(2)13-7-8-17-15(16)9-13;1-4-6-7-8-10-12-11(3)9-5-2/h4-9H,1-3H3,(H2,16,17);9,12H,4-8,10H2,1-3H3/b12-11-;11-9+
InChIKeyWJZVGTIHZVJIDZ-HKMPZVHFSA-N
MW408.63 g/mol
LogP6.79
Rot. Bonds9

About 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine

4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine (PubChem CID 169258678) has the molecular formula C26H40N4 and a molecular weight of 408.63 g/mol. Its IUPAC name is 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine
PubChem CID169258678
Molecular FormulaC26H40N4
Molecular Weight408.63 g/mol
Exact Mass408.33
IUPAC Name4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine
SMILESC/C(=C(\C)c1cccc(C)n1)c1ccnc(N)c1.CC/C=C(\C)NCCCCCC
InChIInChI=1S/C15H17N3.C11H23N/c1-10-5-4-6-14(18-10)12(3)11(2)13-7-8-17-15(16)9-13;1-4-6-7-8-10-12-11(3)9-5-2/h4-9H,1-3H3,(H2,16,17);9,12H,4-8,10H2,1-3H3/b12-11-;11-9+
InChIKeyWJZVGTIHZVJIDZ-HKMPZVHFSA-N
XLogP6.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
(1Z,3E)-1-N'-methyl-3-(6-methyl-2-pyridinyl)hexa-1,3-diene-1,1-diamine
CID 166164796
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N'-(2-aminopyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
CID 172619090
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-N-decylpyrimidine-2,4-diamine
CID 56985914

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine?
The IUPAC name of 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine (CID 169258678) is 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine.
What is the SMILES notation for 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine?
The canonical SMILES for 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine is C/C(=C(\C)c1cccc(C)n1)c1ccnc(N)c1.CC/C=C(\C)NCCCCCC.
What is the InChIKey of 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine?
The InChIKey is WJZVGTIHZVJIDZ-HKMPZVHFSA-N. The full InChI is InChI=1S/C15H17N3.C11H23N/c1-10-5-4-6-14(18-10)12(3)11(2)13-7-8-17-15(16)9-13;1-4-6-7-8-10-12-11(3)9-5-2/h4-9H,1-3H3,(H2,16,17);9,12H,4-8,10H2,1-3H3/b12-11-;11-9+.
What are the key properties of 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine?
4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine has a molecular weight of 408.63 g/mol, XLogP of 6.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(6-methyl-2-pyridinyl)but-2-en-2-yl]pyridin-2-amine;N-[(E)-pent-2-en-2-yl]hexan-1-amine is sourced from PubChem (CID 169258678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).