5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine

C19H40N2 — CID 170194106

IUPAC5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
SMILESC=C(C)NCCCCC(CC)CCC(CC)C(C)N(C)C
InChIInChI=1S/C19H40N2/c1-8-18(12-10-11-15-20-16(3)4)13-14-19(9-2)17(5)21(6)7/h17-20H,3,8-15H2,1-2,4-7H3
InChIKeyYMEDIZKSVUIFQV-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.06
Rot. Bonds13

About 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine

5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine (PubChem CID 170194106) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine.

Molecular Properties

Compound Name5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
PubChem CID170194106
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
SMILESC=C(C)NCCCCC(CC)CCC(CC)C(C)N(C)C
InChIInChI=1S/C19H40N2/c1-8-18(12-10-11-15-20-16(3)4)13-14-19(9-2)17(5)21(6)7/h17-20H,3,8-15H2,1-2,4-7H3
InChIKeyYMEDIZKSVUIFQV-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine with MolForge

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Related Compounds

N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
CID 153371112
4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
CID 139504017
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
3,6-diethylundecane
CID 22051817
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
CID 166800769
8-ethyl-3-methyl-4-methylideneundecane
CID 123341764
5-ethyl-2-methylnon-1-ene
CID 23205953
5-ethyl-N-propylnonan-1-amine
CID 64504205
3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine
CID 146647512
N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
CID 177080596
7-methyl-N-(2-methylprop-2-enyl)nonan-1-amine
CID 175620901

Frequently Asked Questions

What is the IUPAC name of 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine?
The IUPAC name of 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine (CID 170194106) is 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine.
What is the SMILES notation for 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine?
The canonical SMILES for 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine is C=C(C)NCCCCC(CC)CCC(CC)C(C)N(C)C.
What is the InChIKey of 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine?
The InChIKey is YMEDIZKSVUIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-18(12-10-11-15-20-16(3)4)13-14-19(9-2)17(5)21(6)7/h17-20H,3,8-15H2,1-2,4-7H3.
What are the key properties of 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine?
5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine has a molecular weight of 296.54 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine is sourced from PubChem (CID 170194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).