N-(3,3-diethoxypropyl)-7-methyloctan-1-amine

C16H35NO2 — CID 107814867

IUPACN-(3,3-diethoxypropyl)-7-methyloctan-1-amine
SMILESCCOC(CCNCCCCCCC(C)C)OCC
InChIInChI=1S/C16H35NO2/c1-5-18-16(19-6-2)12-14-17-13-10-8-7-9-11-15(3)4/h15-17H,5-14H2,1-4H3
InChIKeyVHFXQVPBZQARIJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.97
Rot. Bonds14

About N-(3,3-diethoxypropyl)-7-methyloctan-1-amine

N-(3,3-diethoxypropyl)-7-methyloctan-1-amine (PubChem CID 107814867) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-7-methyloctan-1-amine
PubChem CID107814867
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN-(3,3-diethoxypropyl)-7-methyloctan-1-amine
SMILESCCOC(CCNCCCCCCC(C)C)OCC
InChIInChI=1S/C16H35NO2/c1-5-18-16(19-6-2)12-14-17-13-10-8-7-9-11-15(3)4/h15-17H,5-14H2,1-4H3
InChIKeyVHFXQVPBZQARIJ-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.97
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'}

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Related Compounds

N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N,N'-bis(3,3-diethoxypropyl)butane-1,4-diamine;bis(nitric acid)
CID 71361975
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-7-methyloctan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-7-methyloctan-1-amine (CID 107814867) is N-(3,3-diethoxypropyl)-7-methyloctan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-7-methyloctan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-7-methyloctan-1-amine is CCOC(CCNCCCCCCC(C)C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-7-methyloctan-1-amine?
The InChIKey is VHFXQVPBZQARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-5-18-16(19-6-2)12-14-17-13-10-8-7-9-11-15(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-7-methyloctan-1-amine?
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 3.97, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-7-methyloctan-1-amine is sourced from PubChem (CID 107814867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).