N,N-diethyloctadecanamide;propan-1-amine;hydrobromide

C25H55BrN2O — CID 174816877

IUPACN,N-diethyloctadecanamide;propan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC(=O)N(CC)CC.CCCN
InChIInChI=1S/C22H45NO.C3H9N.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-2-3-4;/h4-21H2,1-3H3;2-4H2,1H3;1H
InChIKeyRAKMXHUWAVVZEQ-UHFFFAOYSA-N
MW479.63 g/mol
LogP8.05
Rot. Bonds19

About N,N-diethyloctadecanamide;propan-1-amine;hydrobromide

N,N-diethyloctadecanamide;propan-1-amine;hydrobromide (PubChem CID 174816877) has the molecular formula C25H55BrN2O and a molecular weight of 479.63 g/mol. Its IUPAC name is N,N-diethyloctadecanamide;propan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-diethyloctadecanamide;propan-1-amine;hydrobromide
PubChem CID174816877
Molecular FormulaC25H55BrN2O
Molecular Weight479.63 g/mol
Exact Mass478.35
IUPAC NameN,N-diethyloctadecanamide;propan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC(=O)N(CC)CC.CCCN
InChIInChI=1S/C22H45NO.C3H9N.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-2-3-4;/h4-21H2,1-3H3;2-4H2,1H3;1H
InChIKeyRAKMXHUWAVVZEQ-UHFFFAOYSA-N
XLogP8.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 58.05
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-ethyldecanamide
CID 65447961
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N,N-diethyl-4-hexoxybutanamide
CID 176838101
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of N,N-diethyloctadecanamide;propan-1-amine;hydrobromide?
The IUPAC name of N,N-diethyloctadecanamide;propan-1-amine;hydrobromide (CID 174816877) is N,N-diethyloctadecanamide;propan-1-amine;hydrobromide.
What is the SMILES notation for N,N-diethyloctadecanamide;propan-1-amine;hydrobromide?
The canonical SMILES for N,N-diethyloctadecanamide;propan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCCC(=O)N(CC)CC.CCCN.
What is the InChIKey of N,N-diethyloctadecanamide;propan-1-amine;hydrobromide?
The InChIKey is RAKMXHUWAVVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO.C3H9N.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-2-3-4;/h4-21H2,1-3H3;2-4H2,1H3;1H.
What are the key properties of N,N-diethyloctadecanamide;propan-1-amine;hydrobromide?
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide has a molecular weight of 479.63 g/mol, XLogP of 8.05, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyloctadecanamide;propan-1-amine;hydrobromide is sourced from PubChem (CID 174816877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).