4,6-diethyl-3H-azepin-2-amine

C10H16N2 — CID 90084188

IUPAC4,6-diethyl-3H-azepin-2-amine
SMILESCCC1=CN=C(N)CC(CC)=C1
InChIInChI=1S/C10H16N2/c1-3-8-5-9(4-2)7-12-10(11)6-8/h5,7H,3-4,6H2,1-2H3,(H2,11,12)
InChIKeyHGGXWJUNVSIPJH-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds2

About 4,6-diethyl-3H-azepin-2-amine

4,6-diethyl-3H-azepin-2-amine (PubChem CID 90084188) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4,6-diethyl-3H-azepin-2-amine.

Molecular Properties

Compound Name4,6-diethyl-3H-azepin-2-amine
PubChem CID90084188
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4,6-diethyl-3H-azepin-2-amine
SMILESCCC1=CN=C(N)CC(CC)=C1
InChIInChI=1S/C10H16N2/c1-3-8-5-9(4-2)7-12-10(11)6-8/h5,7H,3-4,6H2,1-2H3,(H2,11,12)
InChIKeyHGGXWJUNVSIPJH-UHFFFAOYSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3H-azepin-2-amine?
The IUPAC name of 4,6-diethyl-3H-azepin-2-amine (CID 90084188) is 4,6-diethyl-3H-azepin-2-amine.
What is the SMILES notation for 4,6-diethyl-3H-azepin-2-amine?
The canonical SMILES for 4,6-diethyl-3H-azepin-2-amine is CCC1=CN=C(N)CC(CC)=C1.
What is the InChIKey of 4,6-diethyl-3H-azepin-2-amine?
The InChIKey is HGGXWJUNVSIPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-8-5-9(4-2)7-12-10(11)6-8/h5,7H,3-4,6H2,1-2H3,(H2,11,12).
What are the key properties of 4,6-diethyl-3H-azepin-2-amine?
4,6-diethyl-3H-azepin-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3H-azepin-2-amine is sourced from PubChem (CID 90084188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).