N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine

C29H61NO — CID 175125947

IUPACN,N-dimethyl-1-tricosan-5-yloxybutan-1-amine
SMILESCCCCCCCCCCCCCCCCCCC(CCCC)OC(CCC)N(C)C
InChIInChI=1S/C29H61NO/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(26-10-7-2)31-29(25-8-3)30(4)5/h28-29H,6-27H2,1-5H3
InChIKeyPQQWHOUVCHPIHM-UHFFFAOYSA-N
MW439.81 g/mol
LogP9.90
Rot. Bonds25

About N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine

N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine (PubChem CID 175125947) has the molecular formula C29H61NO and a molecular weight of 439.81 g/mol. Its IUPAC name is N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-tricosan-5-yloxybutan-1-amine
PubChem CID175125947
Molecular FormulaC29H61NO
Molecular Weight439.81 g/mol
Exact Mass439.48
IUPAC NameN,N-dimethyl-1-tricosan-5-yloxybutan-1-amine
SMILESCCCCCCCCCCCCCCCCCCC(CCCC)OC(CCC)N(C)C
InChIInChI=1S/C29H61NO/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(26-10-7-2)31-29(25-8-3)30(4)5/h28-29H,6-27H2,1-5H3
InChIKeyPQQWHOUVCHPIHM-UHFFFAOYSA-N
XLogP9.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.81
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexadecan-5-yloxyhexadecane
CID 57069400
4-icosan-4-yloxyicosane
CID 87313284
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
tridecan-4-yloxymethanediol
CID 160683891
3-icosan-3-yloxyicosane
CID 22595200
(5S)-5-methoxyundecane
CID 118889956
3-pentadecan-3-yloxypentadecane
CID 57200588
dimethyl-tridecan-4-yloxy-trimethylsilylsilane
CID 590056
1-nonacosan-15-yloxybutylazanium bromide
CID 140999934
N,N-dimethylicosan-5-amine
CID 19862397
1-octadecan-9-yloxyethanol
CID 167496272

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine?
The IUPAC name of N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine (CID 175125947) is N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine is CCCCCCCCCCCCCCCCCCC(CCCC)OC(CCC)N(C)C.
What is the InChIKey of N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine?
The InChIKey is PQQWHOUVCHPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61NO/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-28(26-10-7-2)31-29(25-8-3)30(4)5/h28-29H,6-27H2,1-5H3.
What are the key properties of N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine?
N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine has a molecular weight of 439.81 g/mol, XLogP of 9.90, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine is sourced from PubChem (CID 175125947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).