4-(2,2-diethoxyethyl)tridecan-1-amine

C19H41NO2 — CID 150434476

IUPAC4-(2,2-diethoxyethyl)tridecan-1-amine
SMILESCCCCCCCCCC(CCCN)CC(OCC)OCC
InChIInChI=1S/C19H41NO2/c1-4-7-8-9-10-11-12-14-18(15-13-16-20)17-19(21-5-2)22-6-3/h18-19H,4-17,20H2,1-3H3
InChIKeyHKLUWWVDLDBWMP-UHFFFAOYSA-N
MW315.54 g/mol
LogP5.27
Rot. Bonds17

About 4-(2,2-diethoxyethyl)tridecan-1-amine

4-(2,2-diethoxyethyl)tridecan-1-amine (PubChem CID 150434476) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)tridecan-1-amine.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)tridecan-1-amine
PubChem CID150434476
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name4-(2,2-diethoxyethyl)tridecan-1-amine
SMILESCCCCCCCCCC(CCCN)CC(OCC)OCC
InChIInChI=1S/C19H41NO2/c1-4-7-8-9-10-11-12-14-18(15-13-16-20)17-19(21-5-2)22-6-3/h18-19H,4-17,20H2,1-3H3
InChIKeyHKLUWWVDLDBWMP-UHFFFAOYSA-N
XLogP5.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.54
LogP ≤ 55.27
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

4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
5-hexyldodecan-1-amine
CID 129015386
2-(2,2-diethoxyethyl)nonylurea
CID 151957297
(3S)-1,1,3-triethoxynonane
CID 3084722
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
4,4-dioctadecoxybutan-1-amine
CID 87498240
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
3-octadecyldocosan-1-amine
CID 175605892
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)tridecan-1-amine?
The IUPAC name of 4-(2,2-diethoxyethyl)tridecan-1-amine (CID 150434476) is 4-(2,2-diethoxyethyl)tridecan-1-amine.
What is the SMILES notation for 4-(2,2-diethoxyethyl)tridecan-1-amine?
The canonical SMILES for 4-(2,2-diethoxyethyl)tridecan-1-amine is CCCCCCCCCC(CCCN)CC(OCC)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)tridecan-1-amine?
The InChIKey is HKLUWWVDLDBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2/c1-4-7-8-9-10-11-12-14-18(15-13-16-20)17-19(21-5-2)22-6-3/h18-19H,4-17,20H2,1-3H3.
What are the key properties of 4-(2,2-diethoxyethyl)tridecan-1-amine?
4-(2,2-diethoxyethyl)tridecan-1-amine has a molecular weight of 315.54 g/mol, XLogP of 5.27, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)tridecan-1-amine is sourced from PubChem (CID 150434476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).