(3,3-dimethyloxan-4-yl)methanamine

C8H17NO — CID 82417852

IUPAC(3,3-dimethyloxan-4-yl)methanamine
SMILESCC1(C)COCCC1CN
InChIInChI=1S/C8H17NO/c1-8(2)6-10-4-3-7(8)5-9/h7H,3-6,9H2,1-2H3
InChIKeyNARUVRYSESDNKT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.01
Rot. Bonds1

About (3,3-dimethyloxan-4-yl)methanamine

(3,3-dimethyloxan-4-yl)methanamine (PubChem CID 82417852) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3,3-dimethyloxan-4-yl)methanamine.

Molecular Properties

Compound Name(3,3-dimethyloxan-4-yl)methanamine
PubChem CID82417852
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3,3-dimethyloxan-4-yl)methanamine
SMILESCC1(C)COCCC1CN
InChIInChI=1S/C8H17NO/c1-8(2)6-10-4-3-7(8)5-9/h7H,3-6,9H2,1-2H3
InChIKeyNARUVRYSESDNKT-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyltetrahydro-2H-pyran-4-methanamine
CID 25220539
(4-Methyloxan-4-yl)methanamine
CID 54165201
2-Methyl-2-(oxan-4-yl)propan-1-amine
CID 57429862
2-(Oxan-4-yl)propan-1-amine
CID 55290013
(3-Methyloxan-4-yl)methanamine
CID 76224324
2-(4-Methyloxan-4-yl)ethan-1-amine
CID 83815188
2-(3-Methyloxan-3-yl)ethan-1-amine
CID 83815189
(4-Ethyloxan-4-yl)methanamine hydrochloride
CID 86277258
(3,3-Dimethyloxan-4-yl)methanamine hydrochloride
CID 138037954
3,3-Dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83138888
[4-(2-Fluoropropan-2-yl)oxan-4-yl]methanamine
CID 83816593
4-Ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443596

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyloxan-4-yl)methanamine?
The IUPAC name of (3,3-dimethyloxan-4-yl)methanamine (CID 82417852) is (3,3-dimethyloxan-4-yl)methanamine.
What is the SMILES notation for (3,3-dimethyloxan-4-yl)methanamine?
The canonical SMILES for (3,3-dimethyloxan-4-yl)methanamine is CC1(C)COCCC1CN.
What is the InChIKey of (3,3-dimethyloxan-4-yl)methanamine?
The InChIKey is NARUVRYSESDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)6-10-4-3-7(8)5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of (3,3-dimethyloxan-4-yl)methanamine?
(3,3-dimethyloxan-4-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyloxan-4-yl)methanamine is sourced from PubChem (CID 82417852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).