N-(3-aminopropyl)-N-methyloctanamide

C12H26N2O — CID 43125160

IUPACN-(3-aminopropyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CCCN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-9-12(15)14(2)11-8-10-13/h3-11,13H2,1-2H3
InChIKeyFZZVZNPTCFSABT-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.15
Rot. Bonds9

About N-(3-aminopropyl)-N-methyloctanamide

N-(3-aminopropyl)-N-methyloctanamide (PubChem CID 43125160) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyloctanamide
PubChem CID43125160
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3-aminopropyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CCCN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-9-12(15)14(2)11-8-10-13/h3-11,13H2,1-2H3
InChIKeyFZZVZNPTCFSABT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyloctanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyloctanamide (CID 43125160) is N-(3-aminopropyl)-N-methyloctanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyloctanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyloctanamide is CCCCCCCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyloctanamide?
The InChIKey is FZZVZNPTCFSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-6-7-9-12(15)14(2)11-8-10-13/h3-11,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methyloctanamide?
N-(3-aminopropyl)-N-methyloctanamide has a molecular weight of 214.35 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyloctanamide is sourced from PubChem (CID 43125160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).