3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine

C14H29NO — CID 123709109

IUPAC3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine
SMILESCCCC(CCNCC1COC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-6-13(14(2,3)4)7-8-15-9-12-10-16-11-12/h12-13,15H,5-11H2,1-4H3
InChIKeyLDYDRNLNZWJZBE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds7

About 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine

3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine (PubChem CID 123709109) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine
PubChem CID123709109
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine
SMILESCCCC(CCNCC1COC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-6-13(14(2,3)4)7-8-15-9-12-10-16-11-12/h12-13,15H,5-11H2,1-4H3
InChIKeyLDYDRNLNZWJZBE-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
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 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine?
The IUPAC name of 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine (CID 123709109) is 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine?
The canonical SMILES for 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine is CCCC(CCNCC1COC1)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine?
The InChIKey is LDYDRNLNZWJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-13(14(2,3)4)7-8-15-9-12-10-16-11-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine?
3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 123709109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).