N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine

C20H41N — CID 123204821

IUPACN-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine
SMILESC=C(CC)C(CC)CCCC(CC)C(C)N(C)CCCC
InChIInChI=1S/C20H41N/c1-8-12-16-21(7)18(6)20(11-4)15-13-14-19(10-3)17(5)9-2/h18-20H,5,8-16H2,1-4,6-7H3
InChIKeyUJFWEBFGXKNIMH-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.30
Rot. Bonds13

About N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine

N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine (PubChem CID 123204821) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine.

Molecular Properties

Compound NameN-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine
PubChem CID123204821
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine
SMILESC=C(CC)C(CC)CCCC(CC)C(C)N(C)CCCC
InChIInChI=1S/C20H41N/c1-8-12-16-21(7)18(6)20(11-4)15-13-14-19(10-3)17(5)9-2/h18-20H,5,8-16H2,1-4,6-7H3
InChIKeyUJFWEBFGXKNIMH-UHFFFAOYSA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine
CID 91055953
[3-Fluoro-3-methyl-2-(2-methylprop-2-enyl)octyl]-trimethylazanium
CID 123867882
N-ethyl-N-(4-fluoro-4-methylpentyl)-9-methyl-8-methylideneoctadecan-1-amine
CID 145405414
6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
CID 155274657
N-(6-fluorooctan-4-yl)-N-methyl-11-methylidene-7-propyltridec-12-en-6-amine
CID 170075652
2,3-Dihydro-2-azasqualene
CID 129725423
13-Methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane
CID 154721647
3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine
CID 156741354
N,N,2,5-tetraethylhept-6-en-1-amine
CID 170847767
N,N,4-trimethylpentadec-1-en-6-amine
CID 170848016
N,N-dimethyl-6-propylundec-7-en-4-amine
CID 170848026
N,N-dimethyl-6-propylundec-8-en-4-amine
CID 170848027

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine?
The IUPAC name of N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine (CID 123204821) is N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine.
What is the SMILES notation for N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine?
The canonical SMILES for N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine is C=C(CC)C(CC)CCCC(CC)C(C)N(C)CCCC.
What is the InChIKey of N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine?
The InChIKey is UJFWEBFGXKNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-8-12-16-21(7)18(6)20(11-4)15-13-14-19(10-3)17(5)9-2/h18-20H,5,8-16H2,1-4,6-7H3.
What are the key properties of N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine?
N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.30, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,7-diethyl-N-methyl-8-methylidenedecan-2-amine is sourced from PubChem (CID 123204821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).