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

C12H24N2O — CID 66235516

IUPAC4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine
SMILESCC1CCCN(CC2COCC2N)CC1
InChIInChI=1S/C12H24N2O/c1-10-3-2-5-14(6-4-10)7-11-8-15-9-12(11)13/h10-12H,2-9,13H2,1H3
InChIKeyPMMIZRVTEZLUJQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds2

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

4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine (PubChem CID 66235516) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine
PubChem CID66235516
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine
SMILESCC1CCCN(CC2COCC2N)CC1
InChIInChI=1S/C12H24N2O/c1-10-3-2-5-14(6-4-10)7-11-8-15-9-12(11)13/h10-12H,2-9,13H2,1H3
InChIKeyPMMIZRVTEZLUJQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
CID 66236936
2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63624498
4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63623585
4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66238123
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
CID 79171064
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
CID 86198223
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)oxolan-3-amine
CID 66370479
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine (CID 66235516) is 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine is CC1CCCN(CC2COCC2N)CC1.
What is the InChIKey of 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine?
The InChIKey is PMMIZRVTEZLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-3-2-5-14(6-4-10)7-11-8-15-9-12(11)13/h10-12H,2-9,13H2,1H3.
What are the key properties of 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine?
4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66235516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).