(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine

C16H29NS — CID 118613545

IUPAC(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine
SMILESC=CCC(/C(C)=C(N)/C=C\C)C(CC)SCCC
InChIInChI=1S/C16H29NS/c1-6-10-14(13(5)15(17)11-7-2)16(9-4)18-12-8-3/h6-7,11,14,16H,1,8-10,12,17H2,2-5H3/b11-7-,15-13-
InChIKeyNLTBKJVCGBVBCU-KFMOSWKXSA-N
MW267.48 g/mol
LogP4.91
Rot. Bonds9

About (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine

(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine (PubChem CID 118613545) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine
PubChem CID118613545
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine
SMILESC=CCC(/C(C)=C(N)/C=C\C)C(CC)SCCC
InChIInChI=1S/C16H29NS/c1-6-10-14(13(5)15(17)11-7-2)16(9-4)18-12-8-3/h6-7,11,14,16H,1,8-10,12,17H2,2-5H3/b11-7-,15-13-
InChIKeyNLTBKJVCGBVBCU-KFMOSWKXSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine
CID 155217707
(3E,5Z)-5-[2-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)ethyl]hepta-1,3,5-trien-3-amine
CID 89320796
4-Cyclohexa-1,3-dien-1-yl-4a,6,7,9b-tetrahydrodibenzothiophen-3-amine
CID 89995052
3-methyl-2-[(3Z,5Z,8E)-7-methyl-2,7-dihydrothionin-8-yl]cyclohexa-1,5-dien-1-amine
CID 129086611
(3E)-4-[2-[(4Z)-4-ethenyl-2-ethylhepta-4,6-dienyl]sulfanylethyl]hexa-1,3,5-trien-3-amine
CID 134388331
ethane;(2E,4Z)-3-(ethylsulfanylmethyl)octa-2,4-diene;(2E)-3-methylhexa-2,5-dien-2-amine
CID 143697585
ethane;(3E)-2-[(E)-2-ethenylbut-2-enyl]sulfanyl-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-amine
CID 145381280
2-Methyl-6-propan-2-yl-2,3,3a,7a-tetrahydro-1-benzothiophen-7-amine
CID 166865006
(3E,5E)-5-[(2-methylidenecyclohexyl)-methylsulfanylmethyl]octa-3,5,7-trien-3-amine
CID 174307905
3-(5-Methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine
CID 174365536
4-Tert-butyl-6-(2,2-dimethylpentan-3-ylsulfanyl)-7-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 176538192
(3E)-2-[(E)-2-ethenylbut-2-enyl]sulfanyl-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-amine
CID 145381281

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine?
The IUPAC name of (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine (CID 118613545) is (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine.
What is the SMILES notation for (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine?
The canonical SMILES for (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine is C=CCC(/C(C)=C(N)/C=C\C)C(CC)SCCC.
What is the InChIKey of (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine?
The InChIKey is NLTBKJVCGBVBCU-KFMOSWKXSA-N. The full InChI is InChI=1S/C16H29NS/c1-6-10-14(13(5)15(17)11-7-2)16(9-4)18-12-8-3/h6-7,11,14,16H,1,8-10,12,17H2,2-5H3/b11-7-,15-13-.
What are the key properties of (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine?
(2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine has a molecular weight of 267.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-methyl-6-(1-propylsulfanylpropyl)nona-2,4,8-trien-4-amine is sourced from PubChem (CID 118613545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).