N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine

C19H39NO — CID 123676668

IUPACN-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine
SMILESCC=CC(CNC(C)(CCCC)CCCCC)C(C)OC
InChIInChI=1S/C19H39NO/c1-7-10-12-15-19(5,14-11-8-2)20-16-18(13-9-3)17(4)21-6/h9,13,17-18,20H,7-8,10-12,14-16H2,1-6H3
InChIKeySDYYTTMIRWEYJQ-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.33
Rot. Bonds13

About N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine

N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine (PubChem CID 123676668) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine.

Molecular Properties

Compound NameN-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine
PubChem CID123676668
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine
SMILESCC=CC(CNC(C)(CCCC)CCCCC)C(C)OC
InChIInChI=1S/C19H39NO/c1-7-10-12-15-19(5,14-11-8-2)20-16-18(13-9-3)17(4)21-6/h9,13,17-18,20H,7-8,10-12,14-16H2,1-6H3
InChIKeySDYYTTMIRWEYJQ-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
CID 53870258
[(Z)-18-methylnonadec-9-enyl]-(oxiran-2-ylmethyl)azanium chloride
CID 140355517
N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine
CID 147377496
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine;hydrochloride
CID 173359513
(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride
CID 173372338
5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine
CID 174163242
(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
CID 88511882
(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine
CID 116503541
(Z)-18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
CID 140355518
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
CID 173359514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine?
The IUPAC name of N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine (CID 123676668) is N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine.
What is the SMILES notation for N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine?
The canonical SMILES for N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine is CC=CC(CNC(C)(CCCC)CCCCC)C(C)OC.
What is the InChIKey of N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine?
The InChIKey is SDYYTTMIRWEYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-10-12-15-19(5,14-11-8-2)20-16-18(13-9-3)17(4)21-6/h9,13,17-18,20H,7-8,10-12,14-16H2,1-6H3.
What are the key properties of N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine?
N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine has a molecular weight of 297.53 g/mol, XLogP of 5.33, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine is sourced from PubChem (CID 123676668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).