4-(aminomethyl)oxan-4-amine

C6H14N2O — CID 43608727

IUPAC4-(aminomethyl)oxan-4-amine
SMILESNCC1(N)CCOCC1
InChIInChI=1S/C6H14N2O/c7-5-6(8)1-3-9-4-2-6/h1-5,7-8H2
InChIKeyQASGCEYWUQMUCV-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.55
Rot. Bonds1

About 4-(aminomethyl)oxan-4-amine

4-(aminomethyl)oxan-4-amine (PubChem CID 43608727) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-(aminomethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)oxan-4-amine
PubChem CID43608727
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-(aminomethyl)oxan-4-amine
SMILESNCC1(N)CCOCC1
InChIInChI=1S/C6H14N2O/c7-5-6(8)1-3-9-4-2-6/h1-5,7-8H2
InChIKeyQASGCEYWUQMUCV-UHFFFAOYSA-N
XLogP-0.55
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
(4-chlorooxan-4-yl)methanamine;hydrochloride
CID 146050323
2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
CID 172915698
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
4-heptyloxan-4-amine
CID 63220508
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
3-(trimethylsilylmethyl)oxolan-3-amine
CID 130515395
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)oxan-4-amine (CID 43608727) is 4-(aminomethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)oxan-4-amine is NCC1(N)CCOCC1.
What is the InChIKey of 4-(aminomethyl)oxan-4-amine?
The InChIKey is QASGCEYWUQMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-5-6(8)1-3-9-4-2-6/h1-5,7-8H2.
What are the key properties of 4-(aminomethyl)oxan-4-amine?
4-(aminomethyl)oxan-4-amine has a molecular weight of 130.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)oxan-4-amine is sourced from PubChem (CID 43608727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).