4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine

C15H30N2O — CID 66236936

IUPAC4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
SMILESCC(C)(C)C1CCCN(CC2COCC2N)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)13-5-4-7-17(8-6-13)9-12-10-18-11-14(12)16/h12-14H,4-11,16H2,1-3H3
InChIKeyFQAHAPNZRIDJMO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.11
Rot. Bonds2

About 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine

4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine (PubChem CID 66236936) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
PubChem CID66236936
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
SMILESCC(C)(C)C1CCCN(CC2COCC2N)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)13-5-4-7-17(8-6-13)9-12-10-18-11-14(12)16/h12-14H,4-11,16H2,1-3H3
InChIKeyFQAHAPNZRIDJMO-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine (CID 66236936) is 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine is CC(C)(C)C1CCCN(CC2COCC2N)CC1.
What is the InChIKey of 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine?
The InChIKey is FQAHAPNZRIDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)13-5-4-7-17(8-6-13)9-12-10-18-11-14(12)16/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine?
4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66236936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).