(4R,6R)-4,6,7-trimethyloxepan-4-amine

C9H19NO — CID 143825601

IUPAC(4R,6R)-4,6,7-trimethyloxepan-4-amine
SMILESCC1OCC[C@](C)(N)C[C@H]1C
InChIInChI=1S/C9H19NO/c1-7-6-9(3,10)4-5-11-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1
InChIKeyWKUVXXADSUZWKJ-NBXIYJJMSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds

About (4R,6R)-4,6,7-trimethyloxepan-4-amine

(4R,6R)-4,6,7-trimethyloxepan-4-amine (PubChem CID 143825601) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4R,6R)-4,6,7-trimethyloxepan-4-amine.

Molecular Properties

Compound Name(4R,6R)-4,6,7-trimethyloxepan-4-amine
PubChem CID143825601
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4R,6R)-4,6,7-trimethyloxepan-4-amine
SMILESCC1OCC[C@](C)(N)C[C@H]1C
InChIInChI=1S/C9H19NO/c1-7-6-9(3,10)4-5-11-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1
InChIKeyWKUVXXADSUZWKJ-NBXIYJJMSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6,7-trimethyloxepan-4-amine?
The IUPAC name of (4R,6R)-4,6,7-trimethyloxepan-4-amine (CID 143825601) is (4R,6R)-4,6,7-trimethyloxepan-4-amine.
What is the SMILES notation for (4R,6R)-4,6,7-trimethyloxepan-4-amine?
The canonical SMILES for (4R,6R)-4,6,7-trimethyloxepan-4-amine is CC1OCC[C@](C)(N)C[C@H]1C.
What is the InChIKey of (4R,6R)-4,6,7-trimethyloxepan-4-amine?
The InChIKey is WKUVXXADSUZWKJ-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-6-9(3,10)4-5-11-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8?,9+/m1/s1.
What are the key properties of (4R,6R)-4,6,7-trimethyloxepan-4-amine?
(4R,6R)-4,6,7-trimethyloxepan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6,7-trimethyloxepan-4-amine is sourced from PubChem (CID 143825601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).