N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine

C20H37NO — CID 154992842

IUPACN,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine
SMILESC=C(/C=C\C(=C/C)OCCN(C)CCCCC(C)C)C(C)C
InChIInChI=1S/C20H37NO/c1-8-20(13-12-19(6)18(4)5)22-16-15-21(7)14-10-9-11-17(2)3/h8,12-13,17-18H,6,9-11,14-16H2,1-5,7H3/b13-12-,20-8+
InChIKeyFUAYLDVWDKEUDJ-UZCVOTNCSA-N
MW307.52 g/mol
LogP5.43
Rot. Bonds12

About N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine

N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine (PubChem CID 154992842) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine
PubChem CID154992842
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine
SMILESC=C(/C=C\C(=C/C)OCCN(C)CCCCC(C)C)C(C)C
InChIInChI=1S/C20H37NO/c1-8-20(13-12-19(6)18(4)5)22-16-15-21(7)14-10-9-11-17(2)3/h8,12-13,17-18H,6,9-11,14-16H2,1-5,7H3/b13-12-,20-8+
InChIKeyFUAYLDVWDKEUDJ-UZCVOTNCSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine?
The IUPAC name of N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine (CID 154992842) is N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine.
What is the SMILES notation for N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine?
The canonical SMILES for N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine is C=C(/C=C\C(=C/C)OCCN(C)CCCCC(C)C)C(C)C.
What is the InChIKey of N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine?
The InChIKey is FUAYLDVWDKEUDJ-UZCVOTNCSA-N. The full InChI is InChI=1S/C20H37NO/c1-8-20(13-12-19(6)18(4)5)22-16-15-21(7)14-10-9-11-17(2)3/h8,12-13,17-18H,6,9-11,14-16H2,1-5,7H3/b13-12-,20-8+.
What are the key properties of N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine?
N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine has a molecular weight of 307.52 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxyethyl]hexan-1-amine is sourced from PubChem (CID 154992842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).