2-(1,1-dimethoxyethyl)decan-1-amine

C14H31NO2 — CID 151429563

IUPAC2-(1,1-dimethoxyethyl)decan-1-amine
SMILESCCCCCCCCC(CN)C(C)(OC)OC
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12,15H2,1-4H3
InChIKeyPCFXZQIEGIRQKZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.32
Rot. Bonds11

About 2-(1,1-dimethoxyethyl)decan-1-amine

2-(1,1-dimethoxyethyl)decan-1-amine (PubChem CID 151429563) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)decan-1-amine.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)decan-1-amine
PubChem CID151429563
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-(1,1-dimethoxyethyl)decan-1-amine
SMILESCCCCCCCCC(CN)C(C)(OC)OC
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12,15H2,1-4H3
InChIKeyPCFXZQIEGIRQKZ-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.32
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

2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
5-(1,1-dimethoxyethyl)nonane
CID 139962185
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
6-(trimethoxymethyl)tridecane
CID 151806345
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
2-(1,1-dimethoxyethyl)decyl prop-2-enoate
CID 150928265
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
3-[2-(1,1-dimethoxyethyl)decyl]oxetane
CID 152701590
4-(1,1-dimethoxyethyl)dodecyl prop-2-enoate
CID 150677518

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxyethyl)decan-1-amine?
The IUPAC name of 2-(1,1-dimethoxyethyl)decan-1-amine (CID 151429563) is 2-(1,1-dimethoxyethyl)decan-1-amine.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)decan-1-amine?
The canonical SMILES for 2-(1,1-dimethoxyethyl)decan-1-amine is CCCCCCCCC(CN)C(C)(OC)OC.
What is the InChIKey of 2-(1,1-dimethoxyethyl)decan-1-amine?
The InChIKey is PCFXZQIEGIRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-(1,1-dimethoxyethyl)decan-1-amine?
2-(1,1-dimethoxyethyl)decan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)decan-1-amine is sourced from PubChem (CID 151429563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).