N-(azepan-4-ylmethyl)oxan-2-amine

C12H24N2O — CID 105466296

IUPACN-(azepan-4-ylmethyl)oxan-2-amine
SMILESC1CCC(NCC2CCCNCC2)OC1
InChIInChI=1S/C12H24N2O/c1-2-9-15-12(5-1)14-10-11-4-3-7-13-8-6-11/h11-14H,1-10H2
InChIKeyRJUNFCRNFDYTAP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds3

About N-(azepan-4-ylmethyl)oxan-2-amine

N-(azepan-4-ylmethyl)oxan-2-amine (PubChem CID 105466296) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(azepan-4-ylmethyl)oxan-2-amine.

Molecular Properties

Compound NameN-(azepan-4-ylmethyl)oxan-2-amine
PubChem CID105466296
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(azepan-4-ylmethyl)oxan-2-amine
SMILESC1CCC(NCC2CCCNCC2)OC1
InChIInChI=1S/C12H24N2O/c1-2-9-15-12(5-1)14-10-11-4-3-7-13-8-6-11/h11-14H,1-10H2
InChIKeyRJUNFCRNFDYTAP-UHFFFAOYSA-N
XLogP1.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-3-ylmethyl)oxolan-2-amine
CID 105434589
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
4-(oxolan-2-ylmethyl)azepane
CID 126845756
4-[(oxolan-2-ylamino)methyl]azepan-4-ol
CID 105467942
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
[2-(piperidin-3-ylmethylamino)cyclohexyl]methanol
CID 106359738
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
bis(azepan-4-ylmethoxy)-oxophosphanium
CID 175450860
3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 79707508
2-[(4R)-azepan-4-yl]ethanol
CID 98601299

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-ylmethyl)oxan-2-amine?
The IUPAC name of N-(azepan-4-ylmethyl)oxan-2-amine (CID 105466296) is N-(azepan-4-ylmethyl)oxan-2-amine.
What is the SMILES notation for N-(azepan-4-ylmethyl)oxan-2-amine?
The canonical SMILES for N-(azepan-4-ylmethyl)oxan-2-amine is C1CCC(NCC2CCCNCC2)OC1.
What is the InChIKey of N-(azepan-4-ylmethyl)oxan-2-amine?
The InChIKey is RJUNFCRNFDYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-9-15-12(5-1)14-10-11-4-3-7-13-8-6-11/h11-14H,1-10H2.
What are the key properties of N-(azepan-4-ylmethyl)oxan-2-amine?
N-(azepan-4-ylmethyl)oxan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-ylmethyl)oxan-2-amine is sourced from PubChem (CID 105466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).