(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine

C16H30N2 — CID 123691013

IUPAC(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
SMILESCC=C/C(CCCCNC)=C(/C/C=N/C)C(C)C
InChIInChI=1S/C16H30N2/c1-6-9-15(10-7-8-12-17-4)16(14(2)3)11-13-18-5/h6,9,13-14,17H,7-8,10-12H2,1-5H3/b9-6?,16-15+,18-13+
InChIKeyNTKWAQVRTHBQKR-CIJWTILHSA-N
MW250.43 g/mol
LogP4.00
Rot. Bonds9

About (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine

(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine (PubChem CID 123691013) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
PubChem CID123691013
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
SMILESCC=C/C(CCCCNC)=C(/C/C=N/C)C(C)C
InChIInChI=1S/C16H30N2/c1-6-9-15(10-7-8-12-17-4)16(14(2)3)11-13-18-5/h6,9,13-14,17H,7-8,10-12H2,1-5H3/b9-6?,16-15+,18-13+
InChIKeyNTKWAQVRTHBQKR-CIJWTILHSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

12-(4-butyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(Z,3Z)-3-prop-2-enylidenehept-1-enyl]dodecan-1-amine
CID 89108632
12-(4-propyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(1Z,3Z)-3-propylhexa-1,3,5-trienyl]dodecan-1-amine
CID 89108640
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
CID 123745497
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
(5E)-N-ethyl-3,6,8-trimethyl-2,3,4,7,8,9-hexahydroazecin-9-amine
CID 132037049
N-methyl-4-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]iminobutan-1-amine
CID 134255433
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786
N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
CID 137399817

Frequently Asked Questions

What is the IUPAC name of (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine?
The IUPAC name of (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine (CID 123691013) is (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine.
What is the SMILES notation for (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine?
The canonical SMILES for (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine is CC=C/C(CCCCNC)=C(/C/C=N/C)C(C)C.
What is the InChIKey of (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine?
The InChIKey is NTKWAQVRTHBQKR-CIJWTILHSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-9-15(10-7-8-12-17-4)16(14(2)3)11-13-18-5/h6,9,13-14,17H,7-8,10-12H2,1-5H3/b9-6?,16-15+,18-13+.
What are the key properties of (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine?
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine has a molecular weight of 250.43 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine is sourced from PubChem (CID 123691013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).