(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine

C7H14N2O — CID 170380679

IUPAC(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
SMILESC[C@H]1CC=C(N)[C@@H](N)CO1
InChIInChI=1S/C7H14N2O/c1-5-2-3-6(8)7(9)4-10-5/h3,5,7H,2,4,8-9H2,1H3/t5-,7-/m0/s1
InChIKeyBHHORAVEGWDKHO-FSPLSTOPSA-N
MW142.20 g/mol
LogP-0.03
Rot. Bonds

About (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine

(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine (PubChem CID 170380679) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine.

Molecular Properties

Compound Name(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
PubChem CID170380679
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
SMILESC[C@H]1CC=C(N)[C@@H](N)CO1
InChIInChI=1S/C7H14N2O/c1-5-2-3-6(8)7(9)4-10-5/h3,5,7H,2,4,8-9H2,1H3/t5-,7-/m0/s1
InChIKeyBHHORAVEGWDKHO-FSPLSTOPSA-N
XLogP-0.03
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine?
The IUPAC name of (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine (CID 170380679) is (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine.
What is the SMILES notation for (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine?
The canonical SMILES for (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine is C[C@H]1CC=C(N)[C@@H](N)CO1.
What is the InChIKey of (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine?
The InChIKey is BHHORAVEGWDKHO-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-2-3-6(8)7(9)4-10-5/h3,5,7H,2,4,8-9H2,1H3/t5-,7-/m0/s1.
What are the key properties of (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine?
(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine has a molecular weight of 142.20 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine is sourced from PubChem (CID 170380679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).