5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine

C23H49NO — CID 170054282

IUPAC5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
SMILESCCCCCCCC(CCCCCCC)COCCCCCN(C)C
InChIInChI=1S/C23H49NO/c1-5-7-9-11-14-18-23(19-15-12-10-8-6-2)22-25-21-17-13-16-20-24(3)4/h23H,5-22H2,1-4H3
InChIKeyPBSHJJAJNVKVPH-UHFFFAOYSA-N
MW355.65 g/mol
LogP7.07
Rot. Bonds20

About 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine

5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine (PubChem CID 170054282) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
PubChem CID170054282
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Name5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
SMILESCCCCCCCC(CCCCCCC)COCCCCCN(C)C
InChIInChI=1S/C23H49NO/c1-5-7-9-11-14-18-23(19-15-12-10-8-6-2)22-25-21-17-13-16-20-24(3)4/h23H,5-22H2,1-4H3
InChIKeyPBSHJJAJNVKVPH-UHFFFAOYSA-N
XLogP7.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
10-(butoxymethyl)henicosane
CID 87840055
N,N-dimethyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]undecan-1-amine
CID 87173676
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
4-(butoxymethyl)nonane
CID 87066766
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
N,N-dimethyl-5,6-bis(octadec-9-enoxy)hexan-1-amine
CID 54340394
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-(2-hexyldecoxy)-N-[6-(2-hexyldecoxy)hexyl]hexan-1-amine
CID 171607256

Frequently Asked Questions

What is the IUPAC name of 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine (CID 170054282) is 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine is CCCCCCCC(CCCCCCC)COCCCCCN(C)C.
What is the InChIKey of 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine?
The InChIKey is PBSHJJAJNVKVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO/c1-5-7-9-11-14-18-23(19-15-12-10-8-6-2)22-25-21-17-13-16-20-24(3)4/h23H,5-22H2,1-4H3.
What are the key properties of 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine?
5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine has a molecular weight of 355.65 g/mol, XLogP of 7.07, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 170054282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).