N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine

C21H42N2 — CID 123304887

IUPACN,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine
SMILESC=NC(=CN(CC)CCCC(C)C)CCCCCC(CC)CC
InChIInChI=1S/C21H42N2/c1-7-20(8-2)15-11-10-12-16-21(22-6)18-23(9-3)17-13-14-19(4)5/h18-20H,6-17H2,1-5H3
InChIKeyJHSMTSCSRIIYFB-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.67
Rot. Bonds15

About N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine

N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine (PubChem CID 123304887) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine.

Molecular Properties

Compound NameN,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine
PubChem CID123304887
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine
SMILESC=NC(=CN(CC)CCCC(C)C)CCCCCC(CC)CC
InChIInChI=1S/C21H42N2/c1-7-20(8-2)15-11-10-12-16-21(22-6)18-23(9-3)17-13-14-19(4)5/h18-20H,6-17H2,1-5H3
InChIKeyJHSMTSCSRIIYFB-UHFFFAOYSA-N
XLogP6.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
CID 89311785
6-(5-ethylheptyl)-1-(3-methylbutyl)-2H-pyrazine
CID 123149816
1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
CID 123211899
2-Ethylheptylidene-hex-1-en-2-yl-methylazanium
CID 123416280
1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
CID 123474836
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
CID 123998901
N,5-dimethyl-N-pentan-3-yldec-1-en-2-amine
CID 124026019
N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
CID 126625125
(Z)-1-(ethenyldiazenyl)-3-hexyl-N,N-dimethylnon-1-en-2-amine
CID 132011704
(Z)-N,7-dimethyl-1-(methylideneamino)-N-(2-methylpropyl)oct-1-en-2-amine
CID 134313931
N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
CID 134419948
5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine
CID 134583642

Frequently Asked Questions

What is the IUPAC name of N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine?
The IUPAC name of N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine (CID 123304887) is N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine.
What is the SMILES notation for N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine?
The canonical SMILES for N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine is C=NC(=CN(CC)CCCC(C)C)CCCCCC(CC)CC.
What is the InChIKey of N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine?
The InChIKey is JHSMTSCSRIIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-7-20(8-2)15-11-10-12-16-21(22-6)18-23(9-3)17-13-14-19(4)5/h18-20H,6-17H2,1-5H3.
What are the key properties of N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine?
N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine has a molecular weight of 322.58 g/mol, XLogP of 6.67, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine is sourced from PubChem (CID 123304887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).