potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane

C49H100KN2O- — CID 156876102

IUPACpotassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane
SMILES[CH2-]C(CCCCCC)CCCCCCCC.[CH2-]CCCCCCN(CCCCCCCC(=O)CCC(CCCCCC)CCCCCCCC)NC.[K+]
InChIInChI=1S/C33H67N2O.C16H33.K/c1-5-8-11-14-16-21-26-32(25-20-13-10-7-3)28-29-33(36)27-22-17-15-19-24-31-35(34-4)30-23-18-12-9-6-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;/h32,34H,2,5-31H2,1,3-4H3;16H,3-15H2,1-2H3;/q2*-1;+1
InChIKeyJUCYUPUDDQYPGT-UHFFFAOYSA-N
MW772.45 g/mol
LogP13.40
Rot. Bonds42

About potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane

potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane (PubChem CID 156876102) has the molecular formula C49H100KN2O- and a molecular weight of 772.45 g/mol. Its IUPAC name is potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane.

Molecular Properties

Compound Namepotassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane
PubChem CID156876102
Molecular FormulaC49H100KN2O-
Molecular Weight772.45 g/mol
Exact Mass771.75
IUPAC Namepotassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane
SMILES[CH2-]C(CCCCCC)CCCCCCCC.[CH2-]CCCCCCN(CCCCCCCC(=O)CCC(CCCCCC)CCCCCCCC)NC.[K+]
InChIInChI=1S/C33H67N2O.C16H33.K/c1-5-8-11-14-16-21-26-32(25-20-13-10-7-3)28-29-33(36)27-22-17-15-19-24-31-35(34-4)30-23-18-12-9-6-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;/h32,34H,2,5-31H2,1,3-4H3;16H,3-15H2,1-2H3;/q2*-1;+1
InChIKeyJUCYUPUDDQYPGT-UHFFFAOYSA-N
XLogP13.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds42
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.45
LogP ≤ 513.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one
CID 156876103
23-dodecylpentatriacontan-12-one
CID 140659228
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
5-butyl-12-propylheptadecan-8-one
CID 91303627
lithium;potassium;hydride;8-methanidylicosane;propanedioic acid
CID 174967705
35-methylhexatriacontan-18-one
CID 154265958
23-pentylpentatetracontanedioic acid
CID 141048477
4-decyl-11-pentylnonadecanoic acid
CID 57279723
10-hexyloctadecanoic acid
CID 91174619
dimethyl 4-nonylheptanedioate
CID 168749478
2-butyloctyl 6-[[6-(2-butyloctoxy)-6-oxohexyl]-(6-oxotridecyl)amino]hexanoate
CID 167600625
2-butyloctyl 22-butyl-10-methyl-19-oxooctacosanoate
CID 177026661

Frequently Asked Questions

What is the IUPAC name of potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane?
The IUPAC name of potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane (CID 156876102) is potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane.
What is the SMILES notation for potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane?
The canonical SMILES for potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane is [CH2-]C(CCCCCC)CCCCCCCC.[CH2-]CCCCCCN(CCCCCCCC(=O)CCC(CCCCCC)CCCCCCCC)NC.[K+].
What is the InChIKey of potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane?
The InChIKey is JUCYUPUDDQYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67N2O.C16H33.K/c1-5-8-11-14-16-21-26-32(25-20-13-10-7-3)28-29-33(36)27-22-17-15-19-24-31-35(34-4)30-23-18-12-9-6-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;/h32,34H,2,5-31H2,1,3-4H3;16H,3-15H2,1-2H3;/q2*-1;+1.
What are the key properties of potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane?
potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane has a molecular weight of 772.45 g/mol, XLogP of 13.40, 42 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[heptyl(methylamino)amino]-11-hexylnonadecan-8-one;7-methanidylpentadecane is sourced from PubChem (CID 156876102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).