(4,4,6,6-tetramethyloxepan-2-yl)methanamine

C11H23NO — CID 146666846

IUPAC(4,4,6,6-tetramethyloxepan-2-yl)methanamine
SMILESCC1(C)COC(CN)CC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(2)5-9(6-12)13-8-11(3,4)7-10/h9H,5-8,12H2,1-4H3
InChIKeyQNPJRWQFQRLTLV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds1

About (4,4,6,6-tetramethyloxepan-2-yl)methanamine

(4,4,6,6-tetramethyloxepan-2-yl)methanamine (PubChem CID 146666846) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (4,4,6,6-tetramethyloxepan-2-yl)methanamine.

Molecular Properties

Compound Name(4,4,6,6-tetramethyloxepan-2-yl)methanamine
PubChem CID146666846
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(4,4,6,6-tetramethyloxepan-2-yl)methanamine
SMILESCC1(C)COC(CN)CC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(2)5-9(6-12)13-8-11(3,4)7-10/h9H,5-8,12H2,1-4H3
InChIKeyQNPJRWQFQRLTLV-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4,6,6-tetramethyloxepan-2-yl)methanamine?
The IUPAC name of (4,4,6,6-tetramethyloxepan-2-yl)methanamine (CID 146666846) is (4,4,6,6-tetramethyloxepan-2-yl)methanamine.
What is the SMILES notation for (4,4,6,6-tetramethyloxepan-2-yl)methanamine?
The canonical SMILES for (4,4,6,6-tetramethyloxepan-2-yl)methanamine is CC1(C)COC(CN)CC(C)(C)C1.
What is the InChIKey of (4,4,6,6-tetramethyloxepan-2-yl)methanamine?
The InChIKey is QNPJRWQFQRLTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)5-9(6-12)13-8-11(3,4)7-10/h9H,5-8,12H2,1-4H3.
What are the key properties of (4,4,6,6-tetramethyloxepan-2-yl)methanamine?
(4,4,6,6-tetramethyloxepan-2-yl)methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,6,6-tetramethyloxepan-2-yl)methanamine is sourced from PubChem (CID 146666846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).