1-(2-methylnonan-2-ylamino)ethyl formate

C13H27NO2 — CID 173235532

IUPAC1-(2-methylnonan-2-ylamino)ethyl formate
SMILESCCCCCCCC(C)(C)NC(C)OC=O
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-13(3,4)14-12(2)16-11-15/h11-12,14H,5-10H2,1-4H3
InChIKeyITFDPPSIVSICRH-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.23
Rot. Bonds10

About 1-(2-methylnonan-2-ylamino)ethyl formate

1-(2-methylnonan-2-ylamino)ethyl formate (PubChem CID 173235532) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2-methylnonan-2-ylamino)ethyl formate.

Molecular Properties

Compound Name1-(2-methylnonan-2-ylamino)ethyl formate
PubChem CID173235532
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2-methylnonan-2-ylamino)ethyl formate
SMILESCCCCCCCC(C)(C)NC(C)OC=O
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-13(3,4)14-12(2)16-11-15/h11-12,14H,5-10H2,1-4H3
InChIKeyITFDPPSIVSICRH-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

1-(2-methylpentadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 175075284
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
N-ethyl-2-methyloctan-2-amine
CID 123477104
3-methylundecan-4-yl formate
CID 23187921
2-[(2S)-3-(2-methyltridecan-2-ylamino)hexan-2-yl]oxyethanol
CID 91432934
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
N-(9,10-dimethyltricosan-9-yl)formamide
CID 54502764
2,2-diethylundecanal
CID 152675442
1-aminooctyl formate
CID 174824755
6,6-difluorododecanal
CID 143801183

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnonan-2-ylamino)ethyl formate?
The IUPAC name of 1-(2-methylnonan-2-ylamino)ethyl formate (CID 173235532) is 1-(2-methylnonan-2-ylamino)ethyl formate.
What is the SMILES notation for 1-(2-methylnonan-2-ylamino)ethyl formate?
The canonical SMILES for 1-(2-methylnonan-2-ylamino)ethyl formate is CCCCCCCC(C)(C)NC(C)OC=O.
What is the InChIKey of 1-(2-methylnonan-2-ylamino)ethyl formate?
The InChIKey is ITFDPPSIVSICRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-13(3,4)14-12(2)16-11-15/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(2-methylnonan-2-ylamino)ethyl formate?
1-(2-methylnonan-2-ylamino)ethyl formate has a molecular weight of 229.36 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnonan-2-ylamino)ethyl formate is sourced from PubChem (CID 173235532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).