(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen

C17H28N2 — CID 178152593

IUPAC(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen
SMILESC=c1c(C)c(C)c(/C(=C/C)N(C)CCC)n/c1=C/C.[H][H]
InChIInChI=1S/C17H26N2.H2/c1-8-11-19(7)16(10-3)17-14(6)12(4)13(5)15(9-2)18-17;/h9-10H,5,8,11H2,1-4,6-7H3;1H/b15-9+,16-10-;
InChIKeyPSTWRCUXNQHMIP-WQWSCQETSA-N
MW260.42 g/mol
LogP2.86
Rot. Bonds4

About (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen

(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen (PubChem CID 178152593) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen
PubChem CID178152593
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen
SMILESC=c1c(C)c(C)c(/C(=C/C)N(C)CCC)n/c1=C/C.[H][H]
InChIInChI=1S/C17H26N2.H2/c1-8-11-19(7)16(10-3)17-14(6)12(4)13(5)15(9-2)18-17;/h9-10H,5,8,11H2,1-4,6-7H3;1H/b15-9+,16-10-;
InChIKeyPSTWRCUXNQHMIP-WQWSCQETSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276
2-Diethylamino-3h-acridine
CID 137346134
(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine
CID 155690620
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
N-ethenyl-3,4-dimethyl-1-[(2E)-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-3-methylidenepyrrol-1-yl]pent-3-en-2-imine
CID 130349690
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine
CID 134560273
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
CID 139504048

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen?
The IUPAC name of (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen (CID 178152593) is (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen.
What is the SMILES notation for (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen?
The canonical SMILES for (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen is C=c1c(C)c(C)c(/C(=C/C)N(C)CCC)n/c1=C/C.[H][H].
What is the InChIKey of (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen?
The InChIKey is PSTWRCUXNQHMIP-WQWSCQETSA-N. The full InChI is InChI=1S/C17H26N2.H2/c1-8-11-19(7)16(10-3)17-14(6)12(4)13(5)15(9-2)18-17;/h9-10H,5,8,11H2,1-4,6-7H3;1H/b15-9+,16-10-;.
What are the key properties of (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen?
(Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen has a molecular weight of 260.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(6E)-6-ethylidene-3,4-dimethyl-5-methylidene-2-pyridinyl]-N-methyl-N-propylprop-1-en-1-amine;molecular hydrogen is sourced from PubChem (CID 178152593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).