N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine

C10H18N2 — CID 91224762

IUPACN-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine
SMILESCCN(C)C1=NCCC(C)C=C1
InChIInChI=1S/C10H18N2/c1-4-12(3)10-6-5-9(2)7-8-11-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyMIDYTYVYRZRPPH-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds1

About N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine

N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine (PubChem CID 91224762) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine
PubChem CID91224762
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine
SMILESCCN(C)C1=NCCC(C)C=C1
InChIInChI=1S/C10H18N2/c1-4-12(3)10-6-5-9(2)7-8-11-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyMIDYTYVYRZRPPH-UHFFFAOYSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine?
The IUPAC name of N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine (CID 91224762) is N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine.
What is the SMILES notation for N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine?
The canonical SMILES for N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine is CCN(C)C1=NCCC(C)C=C1.
What is the InChIKey of N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine?
The InChIKey is MIDYTYVYRZRPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12(3)10-6-5-9(2)7-8-11-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine?
N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine has a molecular weight of 166.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine is sourced from PubChem (CID 91224762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).