2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine

C19H39NO — CID 114535124

IUPAC2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCCCCCCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-19(13-14-21-18(19)4)16-20-15-17(2)3/h17-18,20H,5-16H2,1-4H3
InChIKeyFYXLFHJDNBGMRB-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds12

About 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine

2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114535124) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114535124
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCCCCCCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-19(13-14-21-18(19)4)16-20-15-17(2)3/h17-18,20H,5-16H2,1-4H3
InChIKeyFYXLFHJDNBGMRB-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine (CID 114535124) is 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine is CCCCCCCCCC1(CNCC(C)C)CCOC1C.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is FYXLFHJDNBGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-19(13-14-21-18(19)4)16-20-15-17(2)3/h17-18,20H,5-16H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114535124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).