N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine

C14H31NO3 — CID 63618872

IUPACN-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
SMILESCCOC(CN(CCOC)C(CC)CC)OCC
InChIInChI=1S/C14H31NO3/c1-6-13(7-2)15(10-11-16-5)12-14(17-8-3)18-9-4/h13-14H,6-12H2,1-5H3
InChIKeyTZFSKHOWCLKERC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.52
Rot. Bonds12

About N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine

N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 63618872) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
PubChem CID63618872
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
SMILESCCOC(CN(CCOC)C(CC)CC)OCC
InChIInChI=1S/C14H31NO3/c1-6-13(7-2)15(10-11-16-5)12-14(17-8-3)18-9-4/h13-14H,6-12H2,1-5H3
InChIKeyTZFSKHOWCLKERC-UHFFFAOYSA-N
XLogP2.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-diethoxyethyl(pentan-3-yl)amino]ethanol
CID 63616990
N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
CID 63619186
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
CID 64898384
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
CID 63619203
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine (CID 63618872) is N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine is CCOC(CN(CCOC)C(CC)CC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is TZFSKHOWCLKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-6-13(7-2)15(10-11-16-5)12-14(17-8-3)18-9-4/h13-14H,6-12H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine?
N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.52, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 63618872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).