N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine

C17H37NO2 — CID 146606613

IUPACN-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
SMILESCCCCCCC(CCC)CNCCCC(OC)OC
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-12-16(11-6-2)15-18-14-10-13-17(19-3)20-4/h16-18H,5-15H2,1-4H3
InChIKeyFGEDNTHYTCJMCE-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.36
Rot. Bonds15

About N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine

N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine (PubChem CID 146606613) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine.

Molecular Properties

Compound NameN-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
PubChem CID146606613
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC NameN-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
SMILESCCCCCCC(CCC)CNCCCC(OC)OC
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-12-16(11-6-2)15-18-14-10-13-17(19-3)20-4/h16-18H,5-15H2,1-4H3
InChIKeyFGEDNTHYTCJMCE-UHFFFAOYSA-N
XLogP4.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,4-dimethoxybutyl)-2-propyloctan-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

N,2-dipropyloctan-1-amine
CID 63497286
1,1-dimethoxytetradecane
CID 13265409
N-ethyl-2-propylnonan-1-amine
CID 63498677
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
N-butyl-4-hexyldocosan-1-amine
CID 172700029
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
3-(2-tetradecyloctadecylamino)propanal
CID 54068246
N-hexyl-2-propylhex-5-en-1-amine
CID 139309941
N,2-dipropylpentan-1-amine
CID 62530512
2-ethyl-N-pentylhexan-1-amine
CID 43081963

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine?
The IUPAC name of N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine (CID 146606613) is N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine.
What is the SMILES notation for N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine?
The canonical SMILES for N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine is CCCCCCC(CCC)CNCCCC(OC)OC.
What is the InChIKey of N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine?
The InChIKey is FGEDNTHYTCJMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-5-7-8-9-12-16(11-6-2)15-18-14-10-13-17(19-3)20-4/h16-18H,5-15H2,1-4H3.
What are the key properties of N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine?
N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.36, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine is sourced from PubChem (CID 146606613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).