N-ethyl-3,6-dimethyl-4H-azepin-2-amine

C10H16N2 — CID 143712105

IUPACN-ethyl-3,6-dimethyl-4H-azepin-2-amine
SMILESCCNC1=C(C)CC=C(C)C=N1
InChIInChI=1S/C10H16N2/c1-4-11-10-9(3)6-5-8(2)7-12-10/h5,7,11H,4,6H2,1-3H3
InChIKeyBJEXZYBCPBGMOO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds2

About N-ethyl-3,6-dimethyl-4H-azepin-2-amine

N-ethyl-3,6-dimethyl-4H-azepin-2-amine (PubChem CID 143712105) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-ethyl-3,6-dimethyl-4H-azepin-2-amine.

Molecular Properties

Compound NameN-ethyl-3,6-dimethyl-4H-azepin-2-amine
PubChem CID143712105
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-ethyl-3,6-dimethyl-4H-azepin-2-amine
SMILESCCNC1=C(C)CC=C(C)C=N1
InChIInChI=1S/C10H16N2/c1-4-11-10-9(3)6-5-8(2)7-12-10/h5,7,11H,4,6H2,1-3H3
InChIKeyBJEXZYBCPBGMOO-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-dimethyl-4H-azepin-2-amine?
The IUPAC name of N-ethyl-3,6-dimethyl-4H-azepin-2-amine (CID 143712105) is N-ethyl-3,6-dimethyl-4H-azepin-2-amine.
What is the SMILES notation for N-ethyl-3,6-dimethyl-4H-azepin-2-amine?
The canonical SMILES for N-ethyl-3,6-dimethyl-4H-azepin-2-amine is CCNC1=C(C)CC=C(C)C=N1.
What is the InChIKey of N-ethyl-3,6-dimethyl-4H-azepin-2-amine?
The InChIKey is BJEXZYBCPBGMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-11-10-9(3)6-5-8(2)7-12-10/h5,7,11H,4,6H2,1-3H3.
What are the key properties of N-ethyl-3,6-dimethyl-4H-azepin-2-amine?
N-ethyl-3,6-dimethyl-4H-azepin-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-dimethyl-4H-azepin-2-amine is sourced from PubChem (CID 143712105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).