(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine

C20H34N2 — CID 167169105

IUPAC(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine
SMILESC=C(C)NCCCC(CC)/C(=C/C(C)C)C(=C)/C=C\C=N\C
InChIInChI=1S/C20H34N2/c1-8-19(12-10-14-22-17(4)5)20(15-16(2)3)18(6)11-9-13-21-7/h9,11,13,15-16,19,22H,4,6,8,10,12,14H2,1-3,5,7H3/b11-9-,20-15+,21-13+
InChIKeyFLKYGAGBYZNOLQ-KXMDIWMCSA-N
MW302.51 g/mol
LogP5.31
Rot. Bonds11

About (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine

(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine (PubChem CID 167169105) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine.

Molecular Properties

Compound Name(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine
PubChem CID167169105
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine
SMILESC=C(C)NCCCC(CC)/C(=C/C(C)C)C(=C)/C=C\C=N\C
InChIInChI=1S/C20H34N2/c1-8-19(12-10-14-22-17(4)5)20(15-16(2)3)18(6)11-9-13-21-7/h9,11,13,15-16,19,22H,4,6,8,10,12,14H2,1-3,5,7H3/b11-9-,20-15+,21-13+
InChIKeyFLKYGAGBYZNOLQ-KXMDIWMCSA-N
XLogP5.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.31
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

(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
CID 178020094
4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
CID 139504017
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
CID 170194106
(NZ)-N-[5-(prop-1-en-2-ylamino)pentan-2-ylidene]hydroxylamine
CID 145467915
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 155468092
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099
1-N-(1-aminoethenyl)-4-N-(2,3-dimethylbut-3-en-2-yl)pentane-1,4-diamine
CID 142548250

Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine?
The IUPAC name of (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine (CID 167169105) is (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine.
What is the SMILES notation for (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine?
The canonical SMILES for (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine is C=C(C)NCCCC(CC)/C(=C/C(C)C)C(=C)/C=C\C=N\C.
What is the InChIKey of (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine?
The InChIKey is FLKYGAGBYZNOLQ-KXMDIWMCSA-N. The full InChI is InChI=1S/C20H34N2/c1-8-19(12-10-14-22-17(4)5)20(15-16(2)3)18(6)11-9-13-21-7/h9,11,13,15-16,19,22H,4,6,8,10,12,14H2,1-3,5,7H3/b11-9-,20-15+,21-13+.
What are the key properties of (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine?
(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine has a molecular weight of 302.51 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine is sourced from PubChem (CID 167169105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).