N-(2-methylnonyl)oxolan-3-amine

C14H29NO — CID 115688902

IUPACN-(2-methylnonyl)oxolan-3-amine
SMILESCCCCCCCC(C)CNC1CCOC1
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-13(2)11-15-14-9-10-16-12-14/h13-15H,3-12H2,1-2H3
InChIKeyYQVVHAQYFVFRNI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds9

About N-(2-methylnonyl)oxolan-3-amine

N-(2-methylnonyl)oxolan-3-amine (PubChem CID 115688902) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2-methylnonyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-methylnonyl)oxolan-3-amine
PubChem CID115688902
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2-methylnonyl)oxolan-3-amine
SMILESCCCCCCCC(C)CNC1CCOC1
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-13(2)11-15-14-9-10-16-12-14/h13-15H,3-12H2,1-2H3
InChIKeyYQVVHAQYFVFRNI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
N-(2-methylbutyl)oxan-4-amine
CID 43609665
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
N-(3-methylpentadecyl)cyclopropanamine
CID 81020007
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
CID 115688949
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(3-methyloctyl)cyclopropanamine
CID 81018953
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnonyl)oxolan-3-amine?
The IUPAC name of N-(2-methylnonyl)oxolan-3-amine (CID 115688902) is N-(2-methylnonyl)oxolan-3-amine.
What is the SMILES notation for N-(2-methylnonyl)oxolan-3-amine?
The canonical SMILES for N-(2-methylnonyl)oxolan-3-amine is CCCCCCCC(C)CNC1CCOC1.
What is the InChIKey of N-(2-methylnonyl)oxolan-3-amine?
The InChIKey is YQVVHAQYFVFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-8-13(2)11-15-14-9-10-16-12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-methylnonyl)oxolan-3-amine?
N-(2-methylnonyl)oxolan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnonyl)oxolan-3-amine is sourced from PubChem (CID 115688902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).